SCHEMBL8570710

SCHEMBL8570710

ClCc1ccnc2occc12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.33

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
SCHEMBL9925782 0.80 ALDH1A1 (0.34) KCNA3
SCHEMBL8331796 0.73 KDM4E (0.35)
SCHEMBL17329007 0.72 AXL (0.41) KCNA3
SCHEMBL22554158 0.72 PRKCI (0.41) KCNA3
SCHEMBL29807239 0.72 AXL (0.41) KCNA3
SCHEMBL30731217 0.72 PRKCI (0.41) KCNA3
Hydrochloric Acid SCHEMBL7422466 0.72 KDM4E (0.34)
SCHEMBL22270836 0.68 KCNA3 (0.32) KCNA3
SCHEMBL14216744 0.68 CDK5 (0.32) KCNA3
SCHEMBL899214 0.68 NCF1 (0.43) KCNA3

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-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP disclosed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO disclosed