SCHEMBL6988259

SCHEMBL6988259

[NH]C(=S)Nc1cnccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4C Q9H3R0 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ EP300 Q09472 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6988265 0.83 CYP1A2 (0.41) GAAHDAC1HDAC3HDAC2HDAC8
SCHEMBL18858121 0.81 GAA (0.39) GAAHDAC1HDAC3HDAC2HDAC8
Hydrochloric Acid SCHEMBL9426022 0.81 CYP1A2 (0.40) GAAHDAC1HDAC3HDAC2HDAC8
SCHEMBL9425432 0.79 ALDH1A1 (0.45) GAAALDH1A1KDM4EMAPTKDM4C
SCHEMBL15432255 0.78 GAA (0.39) GAAHDAC1HDAC3HDAC2HDAC8
Hydrochloric Acid SCHEMBL9426498 0.77 ALDH1A1 (0.44) GAAALDH1A1KDM4EMAPTKDM4C
SCHEMBL9017891 0.76 HDAC1 (0.49) GAAHDAC1HDAC3HDAC2HDAC8
SCHEMBL9426257 0.75 ALDH1A1 (0.49) GAAALDH1A1KMT2AAOC1AOC3
SCHEMBL9425715 0.75 SMN1; SMN2 (0.43) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL14357917 0.74 HDAC1 (0.46) GAAHDAC1HDAC3HDAC2HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588858-B1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 — — EP claimed
EP-0588859-B1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 — — EP claimed
US-5468743-A Imidazo[2,1-b]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1995-11-21 — — US claimed
US-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 — — US claimed
EP-0588858-A1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 — — EP claimed
WO-1992022551-A1 IMIDAZO[2,1-b][3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 — — WO claimed
EP-0518434-A1 Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 — — EP claimed
EP-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 — — EP claimed
EP-0588858-B1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 — — EP disclosed
EP-0588859-B1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 — — EP disclosed
US-5468743-A Imidazo[2,1-b]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1995-11-21 — — US disclosed
US-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 — — US disclosed
EP-0588859-A1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 — — EP disclosed
EP-0588858-A1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 — — EP disclosed
WO-1992022551-A1 IMIDAZO[2,1-b][3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 — — WO disclosed
WO-1992022553-A1 IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[3,2-d]AZEPINE DERIVATIVES, COMPOSITIONS AND METHODS OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 — — WO disclosed
EP-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 — — EP disclosed
EP-0518434-A1 Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 — — EP disclosed
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