SCHEMBL431573

SCHEMBL431573

Cc1ccc(NC(O)Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.44
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
LMNA P02545 1/20 0.42
SGMS2 Q8NHU3 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
SCHEMBL430690 0.87 CYP1A2 (0.43) PSMB5CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL29020992 0.80 SIGMAR1 (0.55) HTTMAPK1GAAALDH1A1MEN1
SCHEMBL7100965 0.78 PPARG (0.55) MAPK1NPSR1MAPTGAAPSMB5
SCHEMBL10692667 0.78 PPARG (0.55) MAPK1NPSR1MAPTGAAPSMB5
SCHEMBL11810999 0.76 TRPV1 (0.43) GAAKMT2ALMNA
SCHEMBL28085748 0.76 MAPK1 (0.49) MAPK1NPSR1MAPTGAAPSMB8
SCHEMBL447463 0.75 CA12 (0.47) HTTMAPK1MAPTGAAHPGD
SCHEMBL5608758 0.74 ATM (0.62) GAAALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL5608756 0.74 ATM (0.62) GAAALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL10440174 0.74 EPHX1 (0.50) CYP1A2TRPA1

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