SCHEMBL172996

SCHEMBL172996

NCc1cccc(-c2cccc(C(N)=O)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFD P00746 6/20 0.61
LOXL2 Q9Y4K0 2/20 0.53
F11 P03951 1/20 0.52
TPSB2 P20231 1/20 0.52
SUCNR1 Q9BXA5 1/20 0.52
AOC3 Q16853 2/20 0.50
ERN1 O75460 1/20 0.50
PARP1 P09874 5/20 0.48
DHODH Q02127 1/20 0.47

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
SCHEMBL27352380 0.89 ERN1 (0.54) CFDAOC3ERN1PARP1DHODH
SCHEMBL509423 0.89 LOXL2 (0.66) CFDLOXL2PARP1
SCHEMBL29364575 0.89 LOXL2 (0.66) CFDLOXL2PARP1
SCHEMBL3722171 0.88 AOC3 (0.63) CFDLOXL2AOC3
SCHEMBL9842445 0.87 LOXL2 (0.58) CFDLOXL2PARP1
SCHEMBL1788673 0.86 TAAR1 (0.49) CFDAOC3ERN1PARP1DHODH
SCHEMBL1252499 0.86 CFD (0.66) CFDLOXL2F11TPSB2SUCNR1
SCHEMBL4940681 0.86 IKBKB (0.56) CFDAOC3ERN1PARP1DHODH
SCHEMBL2431097 0.84 PARP1 (0.64) ERN1PARP1DHODH
SCHEMBL31422694 0.84 PARP1 (0.64) ERN1PARP1DHODH

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
CN-1400973-A Novel biarylcarboxamides ASTRAZENECA AB (SE) 2003-03-05 CN claimed
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed
CN-100345847-C Novel biarylcarboxamides ASTRAZENECA AB (SE) 2007-10-31 CN disclosed
CN-1400973-A Novel biarylcarboxamides ASTRAZENECA AB (SE) 2003-03-05 CN disclosed