SCHEMBL7689949

SCHEMBL7689949

COC(=O)CSc1cc(N=C(C)Cl)c(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PRNP P04156 1/20 0.39
GAA P10253 2/20 0.37
GLA P06280 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
IDO1 P14902 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8484111 0.82 ALDH1A1 (0.42) ALDH1A1HPGDMAPTHSD17B10TP53
SCHEMBL8485382 0.81 ALDH1A1 (0.41) ALDH1A1HPGDMAPTHSD17B10TP53
SCHEMBL8599203 0.78 ALDH1A1 (0.43) ALDH1A1HPGDMAPTHSD17B10TP53
SCHEMBL7688452 0.77 ALDH1A1 (0.34) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL8612174 0.75 ALDH1A1 (0.34) ALDH1A1HPGDMAPTHSD17B10TP53
SCHEMBL8612176 0.75 ALDH1A1 (0.34) ALDH1A1HPGDMAPTHSD17B10TP53
SCHEMBL9615478 0.72 PPOX (0.33) ALDH1A1HPGDMAPTHSD17B10TP53
Fluthiacetmethyl SCHEMBL8437784 0.72 KMT2A (0.35) ALDH1A1HPGDMAPTHSD17B10TP53
SCHEMBL8612924 0.72 PPOX (0.32) ALDH1A1HPGDMAPTHSD17B10TP53
SCHEMBL9048928 0.72 PPOX (0.32) ALDH1A1HPGDMAPTHSD17B10TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6337417-B1 IMIDOYL CHLORIDE DERIVATIVE CHEMICAL INTERMEDIATES THAT ARE NOT HARMFUL TO CROPS CENTRAL GLASS CO., LTD. (JP) 2002-01-08 US disclosed
US-5801122-A N-phenyltetrahydrophthalamic acid derivatives, methods of producing same, and herbicides containing same as effective components CENTRAL GLASS CO., LTD. (JP) 1998-09-01 US disclosed
EP-0741131-A1 N-PHENYLTETRAHYDROPHTHALAMIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT CENTRAL GLASS COMPANY, LIMITED (JP) 1996-11-06 EP disclosed