SCHEMBL8196196

SCHEMBL8196196

CSC(=O)N=c1sc(C)cn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.44
NOTUM Q6P988 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN2B O60939 2/20 0.39
SCN1B Q07699 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
SCN1A P35498 1/20 0.39
HTT P42858 3/20 0.38
TNF P01375 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL9064537 0.87 CNR2 (0.49) CNR2NOTUMCYP1A2CYP2C9CYP2C19
SCHEMBL9064654 0.86 CNR2 (0.46) CNR2NOTUMNPSR1CYP1A2CYP2C9
SCHEMBL9428110 0.85 CNR2 (0.50) CNR2NOTUMNPSR1CYP1A2CYP2C9
SCHEMBL9064743 0.84 CNR2 (0.44) CNR2NOTUMNPSR1CYP1A2CYP2C9
SCHEMBL8424239 0.84 CNR2 (0.44) CNR2NOTUMNPSR1CYP1A2CYP2C9
SCHEMBL8427987 0.84 NOTUM (0.46) CNR2NOTUMNPSR1CYP1A2CYP2C9
SCHEMBL8425725 0.83 CNR2 (0.43) CNR2NOTUMNPSR1CYP1A2CYP2C9
SCHEMBL8425428 0.83 CNR2 (0.43) CNR2NOTUMNPSR1CYP1A2CYP2C9
SCHEMBL8428409 0.82 CNR2 (0.43) CNR2NOTUMNPSR1CYP1A2CYP2C9
SCHEMBL9064734 0.82 CYP2C9 (0.46) CNR2NOTUMNPSR1CYP1A2CYP2C9

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-2000042032-A1 SUBSTITUTED 2-IMINO THIAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed