SCHEMBL8890882

SCHEMBL8890882

O=S(=O)(c1nc2ccc(Cl)cc2s1)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CA2 P00918 5/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA4 P22748 2/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ FSCN1 Q16658 2/20 0.43

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
SCHEMBL14603109 0.81 NPC1 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10473137 0.80 CA2 (0.69) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11076755 0.80 NPC1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11283284 0.79 DYRK1A (0.48) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11303683 0.78 ACP1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21682157 0.78 PSMB8 (0.69) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL31123708 0.78 PSMB8 (0.69) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL32679815 0.77 NPC1 (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL31038187 0.75 CA2 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL334252 0.70 NPC1 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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
WO-1997001547-A1 BENZAZOLE DERIVATIVES WITH MICROBIOCIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 — — WO claimed
WO-1997001547-A1 BENZAZOLE DERIVATIVES WITH MICROBIOCIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 — — WO disclosed
Send feedback