Sugi Predict

Sugi Predict / Compounds / SCHEMBL2829440

SCHEMBL2829440

SCHEMBL2829440

Cc1cc(Nc2sc(C)nc2OC(=O)Nc2ccc(F)cn2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.51
▸ PORCN Q9H237 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL2829131 0.85 GRM5 (0.47) GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2832204 0.85 GRM5 (0.56) GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2826336 0.85 GRM5 (0.70) GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2832138 0.85 GRM5 (0.56) GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2830236 0.85 GRM5 (0.71) GRM5
SCHEMBL2826716 0.84 GRM5 (0.50) GRM5PORCN
SCHEMBL2829130 0.83 GRM5 (0.51) GRM5PORCN
SCHEMBL2830981 0.83 GRM5 (0.50) GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2829041 0.83 GRM5 (0.54) GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2831334 0.83 GRM5 (0.54) GRM5PORCNCYP1A2CYP2C9CYP3A4

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-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 — — EP claimed