SCHEMBL528251

SCHEMBL528251

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FFAR1 O14842 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL528262 0.89 MAPT (0.42) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL528331 0.89 FFAR1 (0.49) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL529151 0.87 MAPT (0.52) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL527865 0.87 SMO (0.47) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL529592 0.86 MAPT (0.55) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL528660 0.84 L3MBTL1 (0.48) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL528124 0.84 KMT2A (0.53) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL528374 0.83 SMN1; SMN2 (0.45) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL528568 0.83 CCR2 (0.47) MAPTPOLBLMNASMN1; SMN2L3MBTL1
SCHEMBL527894 0.83 RXFP1 (0.49) MAPTALDH1A1POLBKMT2ACYP1A2

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