SCHEMBL431571

SCHEMBL431571

Cc1ccc(NC(CO)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.54
MCHR1 Q99705 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 3/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPKAPK2 P49137 1/20 0.48
ALDH1A1 P00352 2/20 0.46
RCE1 Q9Y256 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL29741303 0.93 TEAD4 (0.47) NPBWR1MCHR1SMN1; SMN2TP53MAPT
SCHEMBL27783713 0.87 MAPKAPK2 (0.54) MAPTCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL20095129 0.87 MAPKAPK2 (0.54) MAPTCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL430689 0.87 MAPKAPK2 (0.54) MAPTCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL29157145 0.81 SMN1; SMN2 (0.52) NPBWR1MCHR1SMN1; SMN2TP53MAPT
SCHEMBL11782973 0.81 MAPT (0.56) NPBWR1MCHR1SMN1; SMN2TP53MAPT
SCHEMBL5512074 0.79 MAPT (0.52) NPBWR1MCHR1SMN1; SMN2TP53MAPT
SCHEMBL15870506 0.79 CCNC (0.64) MAPKAPK2ROCK2ROCK1CCNT1CDK9
SCHEMBL29957832 0.78 MAPKAPK2 (0.48) SMN1; SMN2TP53MAPTLMNAMEN1
SCHEMBL13675544 0.78 MAPT (0.50) NPBWR1MCHR1SMN1; SMN2TP53MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932980-B2 Ordered mesoporous titanosilicate and the process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-13 US disclosed
EP-2595921-A1 ORDERED MESOPOROUS TITANOSILICATE AND THE PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-05-29 EP disclosed
US-20130116453-A1 ORDERED MESOPOROUS TITANOSILICATE AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-09 US disclosed
WO-2012011124-A1 ORDERED MESOPOROUS TITANOSILICATE AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-01-26 WO disclosed