SCHEMBL7207106

SCHEMBL7207106

O=C(NC=Cc1cccs1)n1cccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL19435727 0.72 HCAR2 (0.53) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL19435724 0.72 HCAR2 (0.53) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL19435723 0.72 HCAR2 (0.53) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL9686924 0.71 HCAR2 (0.51) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2123130 0.70 NOS1 (0.41) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL29376183 0.69 HCAR2 (0.41) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5746594 0.68 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL4913015 0.67 RAB9A (0.56) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL4913013 0.67 RAB9A (0.56) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL19749 0.64 ELANE (0.47) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1

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
US-6610726-B2 Pyrazole derivative that mimics or agonizes hepatocyte growth factor/scatter factor; antiischemic agents NORTH SHORE-LONG ISLAND JEWISH RESEARCH INSTITUTE 2003-08-26 — — US disclosed
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