SCHEMBL4752992

SCHEMBL4752992

O=C1[N]c2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.41
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
METAP2 P50579 1/20 0.40
TDP2 O95551 1/20 0.39
PARP1 P09874 1/20 0.39
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6222347 1.00 KIF11 (0.41) KIF11JUNNFKB1NFKB2RELA
SCHEMBL4750486 0.87 GRM2 (0.42) KIF11JUNNFKB1NFKB2RELA
SCHEMBL2429783 0.82 JUN (0.44) KIF11JUNNFKB1NFKB2RELA
SCHEMBL6221498 0.81 KIF11 (0.40) KIF11NFKB1NFKB2RELAKMT2A
SCHEMBL3755963 0.78 AURKB (0.42) KIF11PARP1
SCHEMBL6264592 0.77 CA1 (0.40) PARP1KMT2AKDM4E
SCHEMBL5313362 0.76 MEN1 (0.37) JUNNFKB1NFKB2RELATDP2
SCHEMBL7003987 0.75 ALDH1A1 (0.44) KIF11KMT2AHTT
SCHEMBL473854 0.73 TGM2 (0.44) METAP2TDP2KMT2A
SCHEMBL1695075 0.73 CA9 (0.38) PARP1KMT2AHSD17B10HTTKDM4E

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-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed