SCHEMBL13826237

SCHEMBL13826237

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
PTGDR2 Q9Y5Y4 11/20 0.43
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL19017855 0.86 PTGDR2 (0.52) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL19017856 0.83 KDM4E (0.45) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL13826525 0.81 DPP4 (0.44) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL19017857 0.81 PTGDR2 (0.44) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL19906092 0.80 PTGDR2 (0.48) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL19906252 0.80 PTGDR2 (0.39) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL19906097 0.79 KDM4E (0.41) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL19906212 0.78 KDM4E (0.38) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL19906074 0.78 KDM4E (0.38) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL19017872 0.78 KDM4E (0.40) KDM4EPTGDR2ALDH1A1KMT2AMEN1

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-2012145728-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2012-10-26 WO disclosed