SCHEMBL8774679

SCHEMBL8774679

CCCCCCc1ccc(-c2cc(F)c(F)nc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.50
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
HTR2A P28223 1/20 0.44
KCNH2 Q12809 2/20 0.43
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 1/20 0.41
TSHR P16473 1/20 0.41
SPNS2 Q8IVW8 1/20 0.41
ESR1 P03372 2/20 0.41

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
SCHEMBL8775053 0.99 RARB (0.48) RARBRARARARGHTR2AKCNH2
SCHEMBL8774419 0.94 RARB (0.43) RARBRARARARGMAPTRAB9A
SCHEMBL8774007 0.89 RAB9A (0.42) RARBRARARARGHSD17B10ALDH1A1
SCHEMBL8774472 0.86 RARB (0.51) RARBRARARARGHTR2AHSD17B10
SCHEMBL8774890 0.85 RARB (0.50) RARBRARARARGHTR2AHSD17B10
SCHEMBL8774400 0.83 RARB (0.36) RARBRARARARGMAPTGAA
SCHEMBL8774407 0.83 RARB (0.36) RARBRARARARGMAPTGAA
SCHEMBL8774744 0.83 GCGR (0.38) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL8775089 0.82 GPR84 (0.36) RARBRARARARGMEN1MAPT
SCHEMBL8775095 0.82 GPR84 (0.36) RARBRARARARGMEN1MAPT

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