SCHEMBL6270180

SCHEMBL6270180

CNc1cncc(-c2nc(C)c(CCO[N+](=O)OCCc3sc(-c4cncc(NC)n4)nc3C)s2)n1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.31
FYN P06241 1/20 0.31
SRC P12931 1/20 0.30
ZAP70 P43403 1/20 0.30
SYK P43405 1/20 0.30
MAPT P10636 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
SCHEMBL264073 0.91 SCD (0.30) SCDFYN
SCHEMBL279486 0.81 SRC (0.32) SCDFYNSRCZAP70SYK
SCHEMBL6270216 0.80 SRC (0.46) SCDFYNSRCZAP70SYK
SCHEMBL263495 0.74 TP53 (0.31) MAPT
SCHEMBL259808 0.71 HTT (0.43) SRCZAP70SYKMAPT
SCHEMBL259567 0.68 CYP1A2 (0.33) MAPT
SCHEMBL6273995 0.65 FYN (0.35) SCDFYN
SCHEMBL279469 0.64 HTT (0.30) SRCZAP70SYKMAPT
SCHEMBL259331 0.64 CDC7 (0.45) MAPT
SCHEMBL260409 0.64 MAPT (0.51) MAPT

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-2005105065-A2 THIAZOLE-BASED NITRIC OXIDE DONORS FOR TREATING INFLAMMATORY BOWEL DISEASES RENOPHARM LTD. (IL) 2005-11-10 WO disclosed