SCHEMBL17797196

SCHEMBL17797196

CC(=O)Nc1cc(-c2c(F)cc(Cl)c(C)c2F)nc(OC(=O)O)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
HPGD P15428 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ABL1 P00519 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
RORC P51449 2/20 0.32
PYGL P06737 2/20 0.32
MAPT P10636 4/20 0.31
PGK1 P00558 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
F10 P00742 1/20 0.31
KMT2A Q03164 4/20 0.30
MEN1 O00255 3/20 0.30

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
SCHEMBL17797232 0.87 PYGL (0.34) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL17797238 0.87 ALDH1A1 (0.32) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL17797194 0.86 KDM4E (0.31) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL17797234 0.85 RORC (0.37) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL3836847 0.84 ABL1 (0.34) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL17797257 0.84 PIK3R1 (0.33) ALDH1A1PYGL
SCHEMBL17797222 0.84 PYGL (0.35) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL17797198 0.83 KMT2A (0.30) KMT2ANPSR1
SCHEMBL17797237 0.83 RECQL (0.30)
SCHEMBL17797192 0.83 ALDH1A1 (0.38) ALDH1A1HPGDNPC1RAB9AKDM4E

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
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP claimed