SCHEMBL13826525

SCHEMBL13826525

Cc1cc2nc(CC(C)C)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.44
KDM4E B2RXH2 2/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1B1 P15121 1/20 0.38
DPP8 Q6V1X1 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
SCHEMBL19017856 0.88 KDM4E (0.45) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19017855 0.85 PTGDR2 (0.52) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL13734032 0.82 TLR8 (0.34) DPP4KDM4EPTGDR2MEN1ALDH1A1
SCHEMBL13826237 0.81 KDM4E (0.44) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19017857 0.79 PTGDR2 (0.44) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906092 0.78 PTGDR2 (0.48) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL13735716 0.78 CYP3A4 (0.45) DPP4DPP8
SCHEMBL19017848 0.77 TLR8 (0.43) DPP4KDM4EALDH1A1DPP8
SCHEMBL19906055 0.77 PTGDR2 (0.38) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19017872 0.76 KDM4E (0.40) KDM4EPTGDR2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181555-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2017-06-21 EP disclosed
WO-2012145728-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2012-10-26 WO disclosed