SCHEMBL431572

SCHEMBL431572

Cc1ccccc1NC(CO)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 4/20 0.44
MAPT P10636 3/20 0.44
ALOX12 P18054 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
RIPK1 Q13546 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
JAK3 P52333 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
EGFR P00533 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
AURKA O14965 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL11193714 0.79 HRH1 (0.46) HPGDLMNAHTTMAPTALOX12
SCHEMBL21410829 0.79 JAK3 (0.44) LMNAMAPTIDO1TDO2RIPK1
SCHEMBL28090879 0.77 IDO1 (0.43) HPGDLMNASMN1; SMN2IDO1TDO2
SCHEMBL28090659 0.77 IDO1 (0.43) HPGDLMNASMN1; SMN2IDO1TDO2
SCHEMBL28876459 0.77 ADRB2 (0.40) HPGDHTTMAPTALOX12ALDH1A1
SCHEMBL31147707 0.77 MAOA (0.42) HPGDLMNASMN1; SMN2HTTMAPT
SCHEMBL11767973 0.76 MEN1 (0.49) HPGDLMNASMN1; SMN2MAPTIDO1
SCHEMBL20780229 0.76 MAPT (0.47) HPGDLMNAHTTMAPTALOX12
SCHEMBL431571 0.75 NPBWR1 (0.54) HPGDLMNASMN1; SMN2HTTMAPT
SCHEMBL28155956 0.75 MAPT (0.56) HPGDLMNASMN1; SMN2HTTMAPT

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 7 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
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 EP disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed