SCHEMBL27876845

SCHEMBL27876845

NCc1cccc(-c2ccnc(F)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.65
SYK P43405 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
CDK8 P49336 1/20 0.46
MAPK14 Q16539 1/20 0.43
KARS1 Q15046 1/20 0.43
PLAU P00749 1/20 0.42
PRKCI P41743 1/20 0.42
LOX P28300 2/20 0.42
FGFR2 P21802 2/20 0.42
FGFR3 P22607 2/20 0.42
FGFR1 P11362 1/20 0.42
ADRB2 P07550 1/20 0.42
LOXL3 P58215 1/20 0.42
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
CTSA P10619 1/20 0.40
DHFR P00374 1/20 0.40
PNMT P11086 1/20 0.40

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
SCHEMBL16675785 0.83 PRKCI (0.64) LOXL2CDK8MAPK14PRKCIFGFR1
SCHEMBL27465664 0.81 LOXL2 (0.47) LOXL2SYKCDK8MAPK14KARS1
SCHEMBL27481686 0.81 MAPK14 (0.55) LOXL2SYKMAPK14
SCHEMBL27893664 0.79 LOXL2 (0.65) LOXL2SYKTAAR1CDK8MAPK14
SCHEMBL2642497 0.79
SCHEMBL3791745 0.79 LOXL2 (0.60) LOXL2TAAR1CDK8PLAUFGFR2
SCHEMBL301749 0.78 PRKCI (0.67) LOXL2TAAR1CDK8PRKCIFGFR2
Hydrochloric Acid SCHEMBL31572026 0.77 LOXL2 (0.96) LOXL2LOXLOXL3
Hydrochloric Acid SCHEMBL4892257 0.77 LOXL2 (0.96) LOXL2LOXLOXL3
Hydrochloric Acid SCHEMBL1413435 0.77 LOXL2 (0.96) LOXL2LOXLOXL3

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
CN-102770425-A Indolyl-piperidinylbenzylamines as beta-tryptase inhibitors SANOFI SA 2012-11-07 CN disclosed