SCHEMBL8774898

SCHEMBL8774898

CCCCCCCc1ccc(-c2cnc(F)c(F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.57
RARA P10276 2/20 0.57
RARG P13631 1/20 0.57
MAPT P10636 4/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.47
MTOR P42345 1/20 0.47
NPC1 O15118 1/20 0.46
STAT3 P40763 1/20 0.46
ATM Q13315 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
SCHEMBL8774942 1.00 RARB (0.57) RARBRARARARGMAPTHSD17B10
SCHEMBL8774557 1.00 RARB (0.57) RARBRARARARGMAPTHSD17B10
SCHEMBL8774709 1.00 RARB (0.57) RARBRARARARGMAPTHSD17B10
SCHEMBL8774355 0.98 RARB (0.55) RARBRARARARGMAPTHSD17B10
SCHEMBL8774269 0.98 RARB (0.55) RARBRARARARGMAPTHSD17B10
SCHEMBL8774800 0.94 RARB (0.49) RARBRARARARGMAPTHSD17B10
SCHEMBL8774086 0.94 RARB (0.49) RARBRARARARGMAPTHSD17B10
SCHEMBL8774834 0.90 RARB (0.53) RARBRARARARGMAPTHSD17B10
SCHEMBL8774508 0.90 RARB (0.53) RARBRARARARGMAPTHSD17B10
SCHEMBL8774406 0.88 RARB (0.50) RARBRARARARGMAPTHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed