SCHEMBL8089503

SCHEMBL8089503

CCCCCOc1c(OC)ccc2c(=O)n(CCc3ccncc3)c(=S)[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.61
IMPDH2 P12268 2/20 0.49
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4408455 0.91 CNR2 (0.63) CNR2IMPDH2MAPT
SCHEMBL4411502 0.79 CNR2 (0.63) CNR2MAPT
SCHEMBL4409113 0.79 CNR2 (0.55) CNR2CA12CA1CA2
Hydrochloric Acid SCHEMBL8085888 0.79 CNR2 (0.54) CNR2CA12CA1CA2
SCHEMBL4414324 0.78 CNR2 (0.49) CNR2MAPT
SCHEMBL4406833 0.78 CNR2 (0.49) CNR2MAPT
SCHEMBL4407550 0.76 CNR2 (0.53) CNR2CA12CA1CA2
SCHEMBL4411477 0.76 CNR2 (1.00) CNR2ALDH1A1
SCHEMBL8085930 0.75 CNR2 (0.74) CNR2MAPTALDH1A1
Hydrochloric Acid SCHEMBL4409934 0.75 CNR2 (0.98) CNR2ALDH1A1

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-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP disclosed