SCHEMBL528262

SCHEMBL528262

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2C#N)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RORC P51449 2/20 0.39
FFAR1 O14842 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL528251 0.89 MAPT (0.41) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL529151 0.89 MAPT (0.52) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL528340 0.88 FFAR1 (0.51) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL529397 0.85 MAPT (0.57) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL528672 0.85 SMO (0.46) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL528514 0.84 L3MBTL1 (0.49) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL528087 0.83 KMT2A (0.55) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL529245 0.83 MEN1 (0.52) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL529561 0.83 SMN1; SMN2 (0.48) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL529028 0.82 MEN1 (0.50) MAPTALDH1A1HPGDKDM4EPOLB

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