SCHEMBL528331

SCHEMBL528331

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3C)cc2)S(=O)(=O)C(C)C)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44
F2R P25116 1/20 0.43
CYP1A2 P05177 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TYK2 P29597 1/20 0.42

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
SCHEMBL527865 0.92 SMO (0.47) SMN1; SMN2HPGDALDH1A1MAPTKDM4E
SCHEMBL529592 0.91 MAPT (0.55) SMN1; SMN2HPGDALDH1A1MAPTKDM4E
SCHEMBL528660 0.89 L3MBTL1 (0.48) SMN1; SMN2HPGDALDH1A1MAPTKDM4E
SCHEMBL528124 0.89 KMT2A (0.53) SMN1; SMN2HPGDALDH1A1MAPTKDM4E
SCHEMBL528251 0.89 MAPT (0.41) FFAR1SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL528200 0.89 ALDH1A1 (0.55) FFAR1SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL528323 0.88 GAA (0.44) SMN1; SMN2HPGDALDH1A1MAPTPOLB
SCHEMBL527894 0.88 RXFP1 (0.49) SMN1; SMN2ALDH1A1MAPTPOLBCYP1A2
SCHEMBL528340 0.88 FFAR1 (0.51) FFAR1SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL528702 0.86 MAPT (0.58) FFAR1SMN1; SMN2HPGDALDH1A1MAPT

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
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed