SCHEMBL11128299

SCHEMBL11128299

CCOC=Nc1c2oc3ccccc3c2nn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL11128296 1.00 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9APTGS2CYP1A2
SCHEMBL11126116 0.68 LIMK1 (0.49) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL11127473 0.67 CA12 (0.46) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
Hydrochloric Acid SCHEMBL11128193 0.67 LIMK1 (0.47) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL11127262 0.66 CA12 (0.45) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL11129548 0.65 CA9 (0.41) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL11127808 0.64 CA9 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1CA12
SCHEMBL11129704 0.63 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ACYP1A2LMNA
SCHEMBL11125007 0.62 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ACYP1A2LMNA
SCHEMBL11128709 0.60 HSD17B10 (0.43) SMN1; SMN2NPC1RAB9ALMNAALDH1A1

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
US-4420476-A Benzofuro[3,2-c]pyrazol-3-amine derivatives Averst McKenna & Harrison, Inc. (CA) 1983-12-13 — — US disclosed
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