SCHEMBL14430682

SCHEMBL14430682

C=C(c1ccc(C)cc1)N(C)c1nc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ RAB9A P51151 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ RARA P10276 1/20 0.44
▸ RARB P10826 1/20 0.44
▸ RARG P13631 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ CDC7 O00311 2/20 0.42
▸ DBF4 Q9UBU7 2/20 0.42
▸ TRPM8 Q7Z2W7 2/20 0.42

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
SCHEMBL5196153 0.88 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AKDM4EGAARARA
SCHEMBL5194112 0.78 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AKDM4EGAARARA
SCHEMBL5196876 0.77 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AKDM4ERARARARB
SCHEMBL5193911 0.74 RAB9A (0.42) SMN1; SMN2RAB9AKDM4EGAAMAPT
SCHEMBL5193285 0.72 POLB (0.51) SMN1; SMN2RAB9AKDM4EGAAMAPT
SCHEMBL5196161 0.71 RAB9A (0.46) SMN1; SMN2RAB9AKDM4EGAARARA
SCHEMBL1327631 0.70 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AKDM4EGAAMAPT
SCHEMBL5196998 0.69 CYP1A2 (0.48) SMN1; SMN2RAB9AKDM4EMAPTL3MBTL1
SCHEMBL8868807 0.69 RAB9A (0.85) SMN1; SMN2RAB9AKDM4EGAAMAPT
SCHEMBL892234 0.69 RAB9A (1.00) SMN1; SMN2RAB9AKDM4EGAAMAPT

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
EP-1321463-B1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC (CA) 2007-08-08 — — EP disclosed
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