SCHEMBL27612002

SCHEMBL27612002

CC(=O)Nc1ccc([As](=O)(O)O)c(O)c1.Cc1c(C(=O)O)oc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.60
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ TSHR P16473 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ POLB P06746 2/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 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
Toluene SCHEMBL28309355 0.79 PKM (0.80) PKMNPC1RAB9ASMN1; SMN2POLB
SCHEMBL27612000 0.79 TSHR (0.52) PKMNPC1RAB9ATSHRTP53
Benzoic Acid SCHEMBL27937508 0.78 PKM (0.78) PKMNPC1RAB9ATP53SMN1; SMN2
SCHEMBL15022422 0.78 MCL1 (0.60) PKMNPC1RAB9ATSHRTP53
Phenol SCHEMBL27593879 0.78 PKM (0.82) PKMNPC1RAB9ATSHRSMN1; SMN2
SCHEMBL27290132 0.77 PKM (1.00) PKMNPC1RAB9ATSHRTP53
Toluic Acid SCHEMBL27643480 0.76 PKM (0.70) PKMNPC1RAB9ASMN1; SMN2POLB
1-Naphthol SCHEMBL28866137 0.76 PKM (0.74) PKMNPC1RAB9ASMN1; SMN2POLB
Acetophenone SCHEMBL27842182 0.75 PKM (0.78) PKMNPC1RAB9ATP53SMN1; SMN2
Orthocresol SCHEMBL27371745 0.75 PKM (0.78) PKMNPC1RAB9ASMN1; SMN2POLB

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
CN-1623537-A Biaryl sulfonamides and its using method WYETH CORP (US) 2005-06-08 — — CN disclosed
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