SCHEMBL527894

SCHEMBL527894

CCOc1ccccc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 2/20 0.48
MAPT P10636 4/20 0.45
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
GPR35 Q9HC97 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MCL1 Q07820 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL528660 0.91 L3MBTL1 (0.48) RXFP1KMT2ARAB9AMAPTKCNK3
SCHEMBL529245 0.90 MEN1 (0.52) RXFP1MEN1KMT2AHSD17B10RAB9A
SCHEMBL528369 0.90 MEN1 (0.52) RXFP1MEN1KMT2AHSD17B10RAB9A
SCHEMBL528331 0.88 FFAR1 (0.49) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL528613 0.88 MAPT (0.54) RXFP1MEN1KMT2AHSD17B10RAB9A
SCHEMBL528349 0.88 RXFP1 (0.49) RXFP1MEN1KMT2AHSD17B10RAB9A
SCHEMBL527865 0.86 SMO (0.47) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL528572 0.86 RXFP1 (0.48) RXFP1MEN1KMT2AHSD17B10RAB9A
SCHEMBL529592 0.85 MAPT (0.55) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL528124 0.83 KMT2A (0.53) MEN1KMT2ARAB9AMAPTLMNA

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