SCHEMBL11129704

SCHEMBL11129704

Cn1nc2c(oc3ccccc32)c1NC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ HTT P42858 1/20 0.36

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
SCHEMBL11127473 0.85 CA12 (0.46) SMN1; SMN2CA12CA9HRH4ALDH1A1
SCHEMBL11125007 0.84 SMN1; SMN2 (0.40) SMN1; SMN2CA12CA9HRH4GLA
SCHEMBL11127857 0.82 NPY5R (0.40) SMN1; SMN2CA12CA9GLACYP1A2
SCHEMBL11129548 0.79 CA9 (0.41) SMN1; SMN2CA12CA9HRH4GLA
SCHEMBL11126116 0.74 LIMK1 (0.49) SMN1; SMN2CA12CA9HRH4ALDH1A1
SCHEMBL11128709 0.73 HSD17B10 (0.43) SMN1; SMN2CA12CA9GLAALDH1A1
Hydrochloric Acid SCHEMBL11128193 0.73 LIMK1 (0.47) SMN1; SMN2CA12CA9HRH4ALDH1A1
SCHEMBL11127262 0.72 CA12 (0.45) SMN1; SMN2CA12CA9HRH4ALDH1A1
SCHEMBL11127808 0.67 CA9 (0.41) SMN1; SMN2CA12CA9HRH4GLA
SCHEMBL11128296 0.63 SMN1; SMN2 (0.41) SMN1; SMN2CA12CA9HRH4GLA

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 claimed
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