SCHEMBL527865

SCHEMBL527865

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3Cl)cc2)S(=O)(=O)C(C)C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.47
KMT2A Q03164 5/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GPR27 Q9NS67 1/20 0.42
LMNA P02545 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
SCHEMBL528331 0.92 FFAR1 (0.49) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL528658 0.90 ALDH1A1 (0.53) SMOKMT2ACNR1CNR2MEN1
SCHEMBL529592 0.89 MAPT (0.55) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL528672 0.89 SMO (0.46) SMOKMT2ACNR1CNR2MEN1
SCHEMBL528323 0.88 GAA (0.44) KMT2ACNR1MEN1MAPTALDH1A1
SCHEMBL528660 0.88 L3MBTL1 (0.48) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL529639 0.87 MAPT (0.55) SMOKMT2ACNR1CNR2MEN1
SCHEMBL528124 0.87 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL528251 0.87 MAPT (0.41) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL527894 0.86 RXFP1 (0.49) KMT2AMEN1MAPTALDH1A1POLB

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