SCHEMBL31495099

SCHEMBL31495099

Cc1cccc(-c2ncc(OCC3CCNCC3)cn2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 13/20 0.62
▸ EP300 Q09472 3/20 0.55
▸ MAOB P27338 2/20 0.50
▸ AKT1 P31749 1/20 0.50
▸ NOS3 P29474 1/20 0.49
▸ NOS1 P29475 1/20 0.49
▸ NOS2 P35228 1/20 0.49
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ IKBKB O14920 1/20 0.45
▸ CHUK O15111 1/20 0.45

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
SCHEMBL22310321 0.85 EP300 (0.53) KDM1AEP300MAOBAKT1NOS3
SCHEMBL13449240 0.84 MET (0.53) KDM1AMAOB
SCHEMBL31495102 0.84 MET (0.53) KDM1AMAOB
SCHEMBL16787789 0.81 SLC6A2 (0.61) KDM1AEP300MAOBAKT1NOS3
Hydrochloric Acid SCHEMBL1474821 0.80 SLC6A2 (0.60) KDM1AEP300NOS3NOS1NOS2
SCHEMBL21322016 0.78 EP300 (0.47) KDM1AEP300MAOBAKT1NOS3
SCHEMBL13449241 0.75 S1PR1 (0.47) TDP1
SCHEMBL20772850 0.75 HSD17B1 (0.45) EP300
SCHEMBL12659969 0.74 IKBKB (0.46) KDM1AEP300MAOBAKT1TDP1
SCHEMBL30905863 0.74 MET (0.55) KDM1AEP300MAOBIKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684263-A Synthetic method of terpetinib and key intermediate thereof 苏州莱安医药化学技术有限公司 2025-03-25 — — CN disclosed
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