SCHEMBL8306529

SCHEMBL8306529

Cc1cc2c(N)nsc2cc1S

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR4 O00206 1/20 0.36

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
SCHEMBL8306527 0.84 ALDH1A1 (0.47) KDM4EALDH1A1MAPTHSD17B10TLR4
SCHEMBL8269433 0.78 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHSD17B10TLR4
SCHEMBL833047 0.78 CD44 (0.42) KDM4EALDH1A1MAPTHSD17B10TLR4
SCHEMBL8292367 0.73 NNMT (0.37) KDM4EALDH1A1MAPTHSD17B10TLR4
SCHEMBL8291075 0.73 KDM4E (0.38) KDM4EALDH1A1MAPTHSD17B10TLR4
SCHEMBL14490504 0.73 L3MBTL1 (0.42) KDM4EALDH1A1MAPTHSD17B10TLR4
SCHEMBL377405 0.69 MAPT (0.53) KDM4EALDH1A1MAPTHSD17B10TLR4
SCHEMBL29871026 0.64 KDM4E (0.39) KDM4EALDH1A1MAPTHSD17B10TLR4
SCHEMBL28629137 0.64 KDM4E (0.39) KDM4EALDH1A1MAPTHSD17B10TLR4
SCHEMBL11704181 0.64 MAPT (0.57) KDM4EALDH1A1MAPTHSD17B10TLR4

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-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed