SCHEMBL7575243

SCHEMBL7575243

CCOc1cc(-c2ccc[nH]2)[nH]c1C(=O)NN

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
HCRTR1 O43613 2/20 0.40
MAPT P10636 5/20 0.39
GAA P10253 2/20 0.39
CDK2 P24941 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
CTSD P07339 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7574291 0.84 MAPT (0.43) ALDH1A1HPGDMAPTGAACDK2
SCHEMBL7575257 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHPGDHCRTR1
SCHEMBL7581044 0.75 CDK2 (0.42) ALDH1A1MEN1KMT2AHCRTR1MAPT
SCHEMBL13922073 0.72 TUBB4A (0.43) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL9908164 0.68 MEN1 (0.39) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL31238363 0.68 MAPT (0.48) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL13922082 0.68 GAA (0.40) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL13922083 0.68 KDM4E (0.37) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL2358299 0.67 HCRTR1 (0.73) ALDH1A1MEN1KMT2AHPGDHCRTR1
SCHEMBL18045688 0.65 TSHR (0.58) ALDH1A1MEN1KMT2AHCRTR1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686147-B1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA ITALIA SPA (IT) 2002-09-25 EP disclosed
EP-1241162-A1 2,2'-bi-1H-pyrrole derivatives with immunosuppressant activity Pharmacia Italia S.p.A. (IT) 2002-09-18 EP disclosed
US-5691334-A IMMUNOMODULATORS FOR SKIN GRAFTS, AUTOIMMUNE AND FOR ORGAN TRANSPLANTS PHARMACIA & UPJOHN S.P.A. (IT) 1997-11-25 US disclosed
EP-0686147-A1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-12-13 EP disclosed
WO-1995017381-A1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA S.P.A. (IT) 1995-06-29 WO disclosed