SCHEMBL409519

SCHEMBL409519

NC(=O)c1cc(-c2ccc(C(c3ccc(-c4ccc(O)c(C(N)=O)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.58
MCL1 Q07820 3/20 0.44
ACMSD Q8TDX5 2/20 0.44
DHFR P00374 1/20 0.44
HNF4A P41235 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ERN1 O75460 1/20 0.42
IKBKB O14920 1/20 0.41
CLK1 P49759 5/20 0.41
DYRK1A Q13627 5/20 0.41
GSTA1 P08263 1/20 0.41
CASP1 P29466 1/20 0.40
DHODH Q02127 1/20 0.39
KIF11 P52732 2/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL8336975 0.87 CHUK (0.66) CHUKMCL1ACMSDDHFRHNF4A
SCHEMBL30774388 0.87 ESR1 (0.44) CHUKESR1ESR2CLK1DYRK1A
SCHEMBL8338473 0.81 CHUK (0.61) CHUKMCL1ACMSDDHFRHNF4A
SCHEMBL3691427 0.78 CHUK (0.67) CHUKMCL1ACMSDDHFRHNF4A
SCHEMBL8337607 0.77 KIF11 (0.57) CHUKMCL1ACMSDDHFRHNF4A
SCHEMBL27395327 0.76 CES2 (0.52) CHUKCASP1
SCHEMBL5308985 0.76 ACMSD (0.72) CHUKMCL1ACMSDDHFRHNF4A
SCHEMBL346231 0.76 RXRB (0.46) MCL1ACMSDDHFRHNF4AESR1
SCHEMBL29459104 0.76 RXRB (0.46) MCL1ACMSDDHFRHNF4AESR1
SCHEMBL5302317 0.75 CHUK (0.67) CHUKMCL1ACMSDDHFRHNF4A

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
US-20120021357-A1 POSITIVE-TYPE PHOTOSENSITIVE INSULATING RESIN COMPOSITION, AND PATTERN FORMING METHOD USING SAME NEC CORPORATION (JP) 2012-01-26 US disclosed