SCHEMBL10967698

SCHEMBL10967698

COCn1c(Sc2ccccc2)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 5/20 0.46
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 1/20 0.45
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA2A P29274 1/20 0.40
HTT P42858 2/20 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
SCHEMBL10966368 0.82 LMNA (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL10992481 0.81 HTT (0.52) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL29092453 0.72 HIF1A (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL9539522 0.72 NPSR1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL5641063 0.68 MAPK14 (0.75)
SCHEMBL23063513 0.67 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL13937116 0.67 LMNA (0.60) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL7085313 0.66 MAPK14 (0.59) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL7995686 0.66 TEK (0.58) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL6362990 0.66 NPSR1 (0.61) ALDH1A1KDM4ESMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4402960-A Antiinflammatory imidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1983-09-06 US claimed
EP-0043788-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1985-10-30 EP disclosed
US-4528298-A Antiinflammatory imidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1985-07-09 US disclosed
US-4402960-A Antiinflammatory imidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1983-09-06 US disclosed
EP-0043788-A1 Imidazole derivatives, process for their preparation and their pharmaceutical compositions SCHERING AKTIENGESELLSCHAFT (DE) 1982-01-13 EP disclosed