SCHEMBL9635883

SCHEMBL9635883

CCOCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2ccncc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
GRM2 Q14416 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
SLC6A9 P48067 1/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10499179 0.88 MEN1 (0.61) MEN1KMT2AALDH1A1TSHRGRM2
SCHEMBL9636375 0.85 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TSHRGRM2
SCHEMBL9204768 0.85 MEN1 (0.63) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL9635895 0.81 HTR3E (0.50) MEN1KMT2AALDH1A1TSHRGRM2
SCHEMBL9634665 0.80 SLC6A9 (0.51) MEN1KMT2AALDH1A1TSHRGRM2
Fumaric Acid SCHEMBL9635000 0.80 ALDH1A1 (0.40) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL10498575 0.79 MEN1 (0.72) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL10498885 0.79 MEN1 (0.61) MEN1KMT2AALDH1A1TSHRGRM2
SCHEMBL10498573 0.78 KDM4E (0.74) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL10499011 0.78 MEN1 (0.63) MEN1KMT2AALDH1A1TSHRGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed
US-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US disclosed