SCHEMBL8775053

SCHEMBL8775053

CCCCCc1ccc(-c2cc(F)c(F)nc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.48
RARA P10276 1/20 0.45
RARG P13631 1/20 0.45
HSD11B1 P28845 2/20 0.42
HTR2A P28223 1/20 0.41
KCNH2 Q12809 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CTRC Q99895 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL8774679 0.99 RARB (0.50) RARBRARARARGHSD11B1HTR2A
SCHEMBL8774419 0.96 RARB (0.43) RARBRARARARGHSD11B1RAB9A
SCHEMBL8774007 0.90 RAB9A (0.42) RARBRARARARGRAB9AHSD17B10
SCHEMBL8774472 0.87 RARB (0.51) RARBRARARARGHSD11B1HTR2A
SCHEMBL8774890 0.86 RARB (0.50) RARBRARARARGHSD11B1HTR2A
SCHEMBL8774407 0.84 RARB (0.36) RARBRARARARGHSD11B1RAB9A
SCHEMBL8774400 0.84 RARB (0.36) RARBRARARARGHSD11B1RAB9A
SCHEMBL8774744 0.84 GCGR (0.38) RAB9AHSD17B10MEN1ALDH1A1GAA
SCHEMBL8775089 0.83 GPR84 (0.36) RARBRARARARGCTRCMEN1
SCHEMBL8775095 0.83 GPR84 (0.36) RARBRARARARGCTRCMEN1

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