SCHEMBL9204448

SCHEMBL9204448

O=C(O)c1nccnc1C(=O)c1ccc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ AGER Q15109 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GBA1 P04062 1/20 0.46
▸ CCND3 P30281 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.40
▸ CYP2D6 P10635 2/20 0.39
▸ NAPRT Q6XQN6 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38

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
SCHEMBL9206405 0.83 KDM4E (0.61) KDM4EMAPTL3MBTL1TSHRALDH1A1
SCHEMBL8994512 0.76 ALDH1A1 (0.52) KDM4EMAPTL3MBTL1TSHRALDH1A1
SCHEMBL371069 0.74 TSHR (0.54) KDM4ETSHRCCND3CDK6CYP2D6
SCHEMBL28823820 0.74 CNR2 (0.55) MAPTL3MBTL1TSHRGBA1CCND3
SCHEMBL10141203 0.72 — —
SCHEMBL21114388 0.72 TSHR (0.57) KDM4EMAPTTSHRCYP2D6NAPRT
SCHEMBL10141202 0.72 — —
SCHEMBL28298 0.72 — —
SCHEMBL28462590 0.72 KDM4C (0.50) KDM4EMAPTL3MBTL1TSHRALDH1A1
SCHEMBL30880788 0.72 KDM4C (0.50) KDM4EMAPTL3MBTL1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659186-A1 INDOLIZINES AS HERBICIDES ZENECA LIMITED (GB) 1995-06-28 — — EP disclosed
WO-1994005662-A1 INDOLIZINES AS HERBICIDES ZENECA LIMITED (GB) 1994-03-17 — — WO disclosed
Send feedback