SCHEMBL8774890

SCHEMBL8774890

CCCCCc1ccc(-c2ccc(-c3cc(F)c(F)nc3F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.50
RARA P10276 2/20 0.50
RARG P13631 1/20 0.50
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MTOR P42345 1/20 0.43
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HSD11B1 P28845 1/20 0.41
TLR8 Q9NR97 1/20 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
SCHEMBL8774472 0.98 RARB (0.51) RARBRARARARGHSD17B10TSHR
SCHEMBL8774685 0.95 RARB (0.45) RARBRARARARGHSD17B10TSHR
SCHEMBL8774855 0.94 RARB (0.46) RARBRARARARGHSD17B10TSHR
SCHEMBL8774928 0.89 NPC1 (0.40) RARBRARARARGHSD17B10TSHR
SCHEMBL8774599 0.88 NPC1 (0.41) RARBRARARARGHSD17B10MAPT
SCHEMBL8775053 0.86 RARB (0.48) RARBRARARARGHSD17B10TSHR
SCHEMBL8774679 0.85 RARB (0.50) RARBRARARARGHSD17B10TSHR
SCHEMBL8774036 0.84 RARB (0.49) RARBRARARARGHSD17B10TSHR
SCHEMBL8774763 0.83 GCGR (0.40) ALDH1A1MAPTRAB9AGAASMN1; SMN2
SCHEMBL9494490 0.82 RARB (0.62) RARBRARARARGHSD17B10TSHR

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