SCHEMBL3811057

SCHEMBL3811057

CN(C(=O)c1cc2ccccc2o1)c1cc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MAPT P10636 4/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL6426884 0.84 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL3816560 0.78 HSD17B1 (0.44) KMT2ANPC1RAB9A
SCHEMBL3817332 0.78 BCL2L1 (0.45) —
SCHEMBL3817235 0.76 HSD17B1 (0.45) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL3807205 0.76 HSD17B1 (0.45) —
SCHEMBL3807569 0.76 HSD17B1 (0.45) KMT2AMEN1
SCHEMBL3812250 0.75 HPGD (0.41) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL3811484 0.75 ACLY (0.43) MAPT
SCHEMBL3807581 0.75 HSD17B1 (0.41) HPGDMAPTKMT2AMEN1NPC1
SCHEMBL3811571 0.75 ACLY (0.54) MAPT

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
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