SCHEMBL8341803

SCHEMBL8341803

Cn1nc(-c2c(F)cccc2Cl)nc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.43
CDK2 P24941 2/20 0.40
HTT P42858 1/20 0.40
PTGES O14684 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL8484561 0.83 GPBAR1 (0.35) GPBAR1HTTPTGESLMNANPC1
SCHEMBL9046778 0.77 GPBAR1 (0.34) GPBAR1CDK2PTGESLMNANPC1
SCHEMBL8346452 0.75 GPBAR1 (0.36) GPBAR1HTTNPC1RAB9AKMT2A
SCHEMBL26766260 0.74 PDE2A (0.41) GPBAR1HTTPTGESLMNAMAPT
SCHEMBL8345513 0.74 NPC1 (0.37) GPBAR1HTTPTGESLMNANPC1
SCHEMBL8341274 0.74 KMT2A (0.39) GPBAR1HTTPTGESLMNANPC1
SCHEMBL8345626 0.73 NPC1 (0.36) GPBAR1HTTPTGESLMNANPC1
SCHEMBL8345523 0.73 NPC1 (0.36) GPBAR1HTTPTGESLMNANPC1
SCHEMBL19366132 0.73 POLB (0.42) NPC1HSD17B10GAAALDH1A1KDM4E
SCHEMBL9049609 0.72 GPBAR1 (0.34) GPBAR1HTTNPC1RAB9ASMN1; SMN2

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-5892048-A INSECTICIDES, MITICIDES NIPPON SODA CO., LTD. (JP) 1999-04-06 US disclosed
EP-0717039-A1 NOVEL TRIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 1996-06-19 EP disclosed