SCHEMBL9658342

SCHEMBL9658342

COc1ccc(OC)c(Cc2ccc(N)c(N)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
ALDH1A1 P00352 3/20 0.53
IDO1 P14902 2/20 0.53
ADRA1A P35348 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
CYP3A4 P08684 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR2A P28223 1/20 0.50
AOC3 Q16853 1/20 0.48
HSD17B10 Q99714 1/20 0.46
CA2 P00918 1/20 0.44
NTRK1 P04629 1/20 0.44
CSF1R P07333 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
DHFR P00374 1/20 0.44

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
SCHEMBL5351817 0.83 MAPK8 (0.47) GAAALDH1A1IDO1ADRA1ATAAR1
SCHEMBL28711054 0.81 ALDH1A1 (0.56) GAAALDH1A1IDO1TAAR1MAPT
SCHEMBL9660291 0.80 ESR1 (0.52) GAAALDH1A1CYP3A4MEN1MAPT
SCHEMBL9177757 0.80 ALDH1A1 (0.51) GAAALDH1A1IDO1ADRA1ATAAR1
SCHEMBL9660039 0.80 ALDH1A1 (0.58) GAAALDH1A1IDO1TAAR1CYP3A4
SCHEMBL5252421 0.79 IDO1 (0.66) ALDH1A1IDO1ADRA1ATAAR1MEN1
Hydrochloric Acid SCHEMBL9660303 0.78 ALDH1A1 (0.56) GAAALDH1A1IDO1TAAR1CYP3A4
SCHEMBL30374775 0.78 CA2 (0.57) GAAALDH1A1IDO1ADRA1ATAAR1
SCHEMBL9660217 0.78 CA2 (0.74) GAAALDH1A1CYP3A4AOC3CA2
Hydrochloric Acid SCHEMBL27256353 0.78 ALDH1A1 (0.56) GAAALDH1A1IDO1TAAR1CYP3A4

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
US-5162359-A ANTIHYPERLIPOPROTEINEMIC 5-BENZYL SUBSTITUTED-BENZIMIDAZOLINE-2-THION DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-11-10 US disclosed
EP-0474109-A1 New 5-benzyl-substituted benzimidazolin-2-thion derivatives and process for their preparation RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1992-03-11 EP disclosed