SCHEMBL1647181

SCHEMBL1647181

Cc1cc(O)c(NC(=O)O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 5/20 0.51
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.43
KCNMA1 Q12791 1/20 0.41
CXCR2 P25025 1/20 0.40
XBP1 P17861 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4695941 0.84 POLB (0.57) GAASMN1; SMN2POLBKMT2AMEN1
SCHEMBL4958829 0.84 POLB (0.57) GAASMN1; SMN2POLBKMT2AMEN1
SCHEMBL11058044 0.81 KMT2A (0.41) SMN1; SMN2POLBKMT2AMEN1NPC1
Fluoride SCHEMBL11791995 0.79 ABCC1 (0.40) SMN1; SMN2POLBKMT2AMEN1NPC1
SCHEMBL22469129 0.76 KCNMA1 (0.38) GAASMN1; SMN2POLBKMT2AMEN1
SCHEMBL29177406 0.76 HTT (0.38) SMN1; SMN2POLBKMT2AMEN1NPC1
SCHEMBL6960305 0.75 GAA (0.56) GAASMN1; SMN2POLBKMT2AMEN1
SCHEMBL27828990 0.75 GAA (0.46) GAASMN1; SMN2POLBKMT2AMEN1
SCHEMBL6397287 0.74 KCNMA1 (0.69) GAASMN1; SMN2POLBKMT2AMEN1
SCHEMBL27877164 0.74 CXCR2 (0.67) GAASMN1; SMN2POLBKMT2AMEN1

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-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
EP-2305641-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-04-06 EP disclosed