SCHEMBL7980259

SCHEMBL7980259

Cc1cc(C)cc(Nc2ccccn2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
NPC1 O15118 3/20 0.61
ALOX12 P18054 1/20 0.61
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPK10 P53779 1/20 0.53
GFER P55789 1/20 0.53
KDR P35968 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
GRM4 Q14833 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IGF1R P08069 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL6837492 0.85 RAB9A (0.63) RAB9ANPC1ALOX12KMT2AMEN1
SCHEMBL904444 0.82 NPC1 (0.60) RAB9ANPC1KMT2AMEN1MAPK10
SCHEMBL29408382 0.82 NPC1 (0.60) RAB9ANPC1KMT2AMEN1MAPK10
SCHEMBL20520184 0.80 RAB9A (0.43) RAB9ANPC1ALOX12KMT2AMEN1
SCHEMBL3842730 0.79 LCK (0.54) RAB9ANPC1ALOX12KMT2AMEN1
SCHEMBL25175479 0.78 RAB9A (0.63) RAB9ANPC1KMT2AMEN1MAPK10
SCHEMBL15601793 0.78 RAB9A (0.48) RAB9ANPC1ALOX12KMT2AMEN1
SCHEMBL29582475 0.77 MEN1 (0.64) RAB9ANPC1KMT2AMEN1MAPK10
SCHEMBL626575 0.77 MEN1 (0.64) RAB9ANPC1KMT2AMEN1MAPK10
SCHEMBL5750559 0.77 KDR (0.56) RAB9ANPC1KMT2AMEN1MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130253185-A1 NOVEL CATALYSTS DALHOUSIE UNIVERSITY (CA) 2013-09-26 US disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed