SCHEMBL8337607

SCHEMBL8337607

NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.57
PARP1 P09874 2/20 0.55
CHUK O15111 1/20 0.53
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CNR2 P34972 1/20 0.48
MCL1 Q07820 3/20 0.48
ACMSD Q8TDX5 2/20 0.47
DHODH Q02127 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
CFTR P13569 1/20 0.46
DHFR P00374 1/20 0.46
HNF4A P41235 1/20 0.46

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 0.86 CHUK (0.66) KIF11PARP1CHUKMCL1ACMSD
SCHEMBL28260236 0.82 RXRA (0.51) KIF11PARP1CHUKDHODHP2RX1
SCHEMBL27395327 0.82 CES2 (0.52) CHUKKDM4EADRB2ADRB1ADRB3
SCHEMBL28260232 0.81 CHUK (0.49) KIF11PARP1CHUKDHODHP2RX1
SCHEMBL9202951 0.81 MKNK1 (0.56) KIF11PARP1PLGPLAUPLAT
SCHEMBL4724483 0.80 PARP1 (0.59) KIF11PARP1PLGPLAUPLAT
SCHEMBL5308985 0.79 ACMSD (0.72) CHUKKDM4EMCL1ACMSDDHFR
SCHEMBL28260234 0.78 TMPRSS4 (0.49) KIF11CHUKKDM4EMCL1ACMSD
SCHEMBL3727414 0.78 PLG (0.60) KIF11PARP1PLGPLAUPLAT
SCHEMBL11165545 0.77 PARP1 (0.53) KIF11PARP1PLGPLAUPLAT

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
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO disclosed