SCHEMBL19986658

SCHEMBL19986658

Clc1ccc(SNCCCNc2c(Cl)cncc2Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.35
STK17A Q9UEE5 2/20 0.32
KMT2A Q03164 1/20 0.31
STK17B O94768 1/20 0.31
KDR P35968 1/20 0.31
GFER P55789 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19986727 0.92 HAO1 (0.37) HAO1STK17AGFERICAM1SELE
SCHEMBL19986707 0.88 STK17A (0.35) STK17ASTK17BHTT
SCHEMBL19986541 0.77 HAO1 (0.33) HAO1GFERALDH1A1HTTL3MBTL1
SCHEMBL19986657 0.70 CCR1 (0.43) KMT2AALDH1A1HTTL3MBTL1
SCHEMBL19986530 0.69 ALOX15 (0.58) KMT2AKDRALDH1A1HTT
SCHEMBL19986725 0.64 KMT2A (0.46) KMT2AALDH1A1HTTL3MBTL1
SCHEMBL19986472 0.63 RAPGEF4 (0.30)
SCHEMBL19986641 0.63 STK17A (0.37) STK17AKMT2AALDH1A1HTT
SCHEMBL20345815 0.61 EPHX2 (0.49) KMT2AALDH1A1HTTL3MBTL1
SCHEMBL19986648 0.60 KMT2A (0.50) KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018050110-A1 NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR 正大天晴药业集团股份有限公司 2018-03-22 WO disclosed