SCHEMBL9049609

SCHEMBL9049609

Cn1nc(-c2c(F)cccc2Cl)nc1C(NO)c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR2 O95136 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR2 O15552 1/20 0.31

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
SCHEMBL8346452 0.85 GPBAR1 (0.36) GPBAR1NPC1CASP3RAB9ASENP8
SCHEMBL8345523 0.84 NPC1 (0.36) GPBAR1NPC1CASP3RAB9ASENP8
SCHEMBL9046768 0.81 ALDH1A1 (0.39) GPBAR1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL8341803 0.72 GPBAR1 (0.43) GPBAR1NPC1CASP3RAB9ASENP8
SCHEMBL26766260 0.71 PDE2A (0.41) GPBAR1ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL9011758 0.71 NPC1 (0.37) GPBAR1NPC1CASP3RAB9ASENP8
SCHEMBL8345513 0.71 NPC1 (0.37) GPBAR1NPC1CASP3RAB9ASENP8
SCHEMBL8341274 0.70 KMT2A (0.39) GPBAR1NPC1CASP3RAB9ASENP8
SCHEMBL8484561 0.70 GPBAR1 (0.35) GPBAR1NPC1CASP3RAB9ASENP8
SCHEMBL8345626 0.70 NPC1 (0.36) GPBAR1NPC1CASP3RAB9ASENP8

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