SCHEMBL528672

SCHEMBL528672

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.46
KMT2A Q03164 2/20 0.46
F2R P25116 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
GPR27 Q9NS67 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 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
SCHEMBL528658 0.91 ALDH1A1 (0.53) SMOKMT2ACNR1CNR2MEN1
SCHEMBL528340 0.91 FFAR1 (0.51) KMT2AF2RMEN1MAPTALDH1A1
SCHEMBL527865 0.89 SMO (0.47) SMOKMT2ACNR1CNR2GPR27
SCHEMBL529639 0.88 MAPT (0.55) SMOKMT2ACNR1CNR2GPR27
SCHEMBL529397 0.88 MAPT (0.57) KMT2AF2RMEN1MAPTALDH1A1
SCHEMBL528626 0.87 ALDH1A1 (0.46) KMT2ACNR1GPR27MEN1MAPT
SCHEMBL528514 0.86 L3MBTL1 (0.49) KMT2AMAPTALDH1A1KDM4ETP53
SCHEMBL528087 0.85 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL529245 0.85 MEN1 (0.52) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL528262 0.85 MAPT (0.42) KMT2AMEN1MAPTALDH1A1KDM4E

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