SCHEMBL8774086

SCHEMBL8774086

CCCCc1ccc(-c2cnc(F)c(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.49
RARA P10276 1/20 0.49
RARG P13631 1/20 0.49
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8774800 1.00 RARB (0.49) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774355 0.95 RARB (0.55) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774269 0.95 RARB (0.55) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774709 0.94 RARB (0.57) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774942 0.94 RARB (0.57) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774557 0.94 RARB (0.57) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774898 0.94 RARB (0.57) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774871 0.90 RAB9A (0.48) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8775052 0.90 RAB9A (0.48) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774784 0.89 RAB9A (0.46) RARBRARARARGRAB9ASMN1; SMN2

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