SCHEMBL9836963

SCHEMBL9836963

C[CH]c1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 13/20 0.68
▸ AHR P35869 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.54
▸ GPR3 P46089 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL18201434 0.85 KIF11 (0.64) KIF11AHRALDH1A1GPR3HSD17B10
SCHEMBL24973490 0.81 KIF11 (0.58) KIF11AHRALDH1A1GPR3HSD17B10
SCHEMBL1246016 0.81 KIF11 (0.68) KIF11AHRALDH1A1GPR3HSD17B10
SCHEMBL7963280 0.81 KIF11 (1.00) KIF11AHRALDH1A1GPR3HSD17B10
SCHEMBL29953653 0.81 KIF11 (1.00) KIF11AHRALDH1A1GPR3HSD17B10
SCHEMBL21668968 0.80 KIF11 (0.57) KIF11AHRALDH1A1GPR3HSD17B10
SCHEMBL9839009 0.79 PTGS2 (0.50) KIF11MAPT
SCHEMBL27750624 0.77 KIF11 (0.62) KIF11AHRALDH1A1GPR3HSD17B10
Carbazole SCHEMBL27568363 0.74 ALDH1A1 (0.70) KIF11AHRALDH1A1GPR3HSD17B10
SCHEMBL8124645 0.74 KIF11 (0.64) KIF11AHRALDH1A1GPR3HSD17B10

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-5028603-A Platelet-Activating Factor Antagonist; Useful In Treatment Of Inflammatory Diseases, Allergic Diseases, Asthma, Respiratory System Disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-07-02 — — US disclosed
EP-0316456-A1 ESTER-SUBSTITUTED THIENOTRIAZOLODIAZEPINE COMPOUNDS AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-24 — — EP disclosed
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