SCHEMBL11126116

SCHEMBL11126116

Cn1nc2c(oc3ccccc32)c1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.49
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HRH4 Q9H3N8 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ NCOA2 Q15596 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
Hydrochloric Acid SCHEMBL11128193 0.98 LIMK1 (0.47) LIMK1CA12CA9ALDH1A1KDM4E
SCHEMBL11128266 0.80 HRH4 (0.39) ALDH1A1KDM4EMEN1KMT2AHRH4
SCHEMBL11127473 0.79 CA12 (0.46) LIMK1CA12CA9ALDH1A1KDM4E
SCHEMBL11129709 0.78 CSNK2B (0.45) CA9HRH4MAPTNPC1RAB9A
SCHEMBL11125003 0.78 AHR (0.42) CA12CA9ALDH1A1KMT2AHRH4
SCHEMBL11126598 0.78 ALDH1A1 (0.51) ALDH1A1KMT2AHRH4LMNA
SCHEMBL11127262 0.78 CA12 (0.45) LIMK1CA12CA9ALDH1A1KDM4E
SCHEMBL11128820 0.78 MCL1 (0.36) ALDH1A1KDM4EMEN1KMT2AHRH4
SCHEMBL11125004 0.76 ATP1A1 (0.39) KDM4EMAPTTSHRLMNA
SCHEMBL11129704 0.74 SMN1; SMN2 (0.40) LIMK1CA12CA9ALDH1A1KDM4E

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