SCHEMBL9428110

SCHEMBL9428110

Cc1cn(-c2cccc(C(F)(F)F)c2)c(=NC(=O)C(C)(C)C)s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.50
NOTUM Q6P988 1/20 0.41
CNR1 P21554 3/20 0.40
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 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL9064654 0.92 CNR2 (0.46) CNR2NOTUMSCN2BSCN1BSCN5A
SCHEMBL9064537 0.88 CNR2 (0.49) CNR2NOTUMCNR1SCN2BSCN1B
SCHEMBL2862523 0.87 ALDH1A1 (0.41) CNR2CNR1NPSR1ALDH1A1
SCHEMBL2862528 0.87 ALDH1A1 (0.41) CNR2CNR1NPSR1ALDH1A1
SCHEMBL9428923 0.86 CNR2 (0.43) CNR2NOTUMSCN2BSCN1BSCN5A
SCHEMBL2867719 0.85 ALDH1A1 (0.41) CNR2NOTUMSCN2BSCN1BSCN9A
SCHEMBL2867716 0.85 ALDH1A1 (0.41) CNR2NOTUMSCN2BSCN1BSCN9A
SCHEMBL2857836 0.85 ALDH1A1 (0.44) CNR2NOTUMNPSR1ALDH1A1CYP1A2
SCHEMBL2857832 0.85 ALDH1A1 (0.44) CNR2NOTUMNPSR1ALDH1A1CYP1A2
SCHEMBL9064743 0.85 CNR2 (0.44) CNR2NOTUMCNR1SCN2BSCN1B

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
US-5292715-A Iminothiazolines, their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-08 US disclosed
EP-0529481-A1 Iminothiazolines, their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-03 EP disclosed