SCHEMBL20376806

SCHEMBL20376806

NC(=O)N(c1cccc(Cl)c1)c1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 11/20 0.51
▸ EPHX2 P34913 1/20 0.44
▸ SCN4A P35499 1/20 0.44
▸ DYRK1A Q13627 1/20 0.43
▸ ACP1 P24666 1/20 0.42
▸ PPARA Q07869 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CSNK2A3 Q8NEV1 1/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ LIPE Q05469 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
SCHEMBL27950444 0.70 HTR3E (0.53) —
SCHEMBL5606524 0.69 CES2 (0.50) —
SCHEMBL17287802 0.69 CSNK1D (0.68) CSNK1DDYRK1AACP1CSNK2A2CSNK2B
SCHEMBL28488116 0.69 SMN1; SMN2 (0.54) —
SCHEMBL27551140 0.68 FBP1 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3LIPE
Hydrochloric Acid SCHEMBL28640787 0.68 SMN1; SMN2 (0.52) —
SCHEMBL6542786 0.67 SMN1; SMN2 (0.43) DYRK1A
SCHEMBL17287559 0.67 CSNK1D (1.00) CSNK1DDYRK1AACP1
SCHEMBL7617152 0.67 P2RX1 (0.39) —
SCHEMBL27742325 0.67 TMPRSS4 (0.47) —

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-3348550-A1 SUBSTITUTED BENZOTHIAZOLES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF HUMAN DISEASES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2018-07-18 — — EP disclosed
Send feedback