SCHEMBL8942539

SCHEMBL8942539

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
HSD17B2 P37059 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PDE2A O00408 3/20 0.37
PDE10A Q9Y233 1/20 0.37
MAP2K4 P45985 1/20 0.36
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8942480 0.88 NR1H2 (0.44) NR1H2NR1H3HSD17B2NPC1RAB9A
SCHEMBL8942970 0.86 HSD17B2 (0.50) NR1H2NR1H3HSD17B2NPC1RAB9A
SCHEMBL8942725 0.86 NR1H2 (0.49) NR1H2NR1H3HSD17B2NPC1RAB9A
SCHEMBL9577157 0.85 HSD11B1 (0.46) NR1H2NR1H3HSD17B2NPC1RAB9A
SCHEMBL8298161 0.85 HSD17B2 (0.39) NR1H2NR1H3HSD17B2NPC1RAB9A
SCHEMBL8300288 0.85 CRHR1 (0.37) KMT2AATMSMN1; SMN2PDE2APDE10A
SCHEMBL8942726 0.84 KMT2A (0.39) NR1H2NR1H3HSD17B2KMT2AATM
SCHEMBL9026017 0.83 HSD11B1 (0.49) NR1H2NR1H3NPC1RAB9AKMT2A
SCHEMBL8942833 0.82 NR1H2 (0.45) NR1H2NR1H3HSD17B2NPC1RAB9A
SCHEMBL8303453 0.81 HSD17B2 (0.44) NR1H2NR1H3HSD17B2NPC1RAB9A

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
US-5482951-A Triazole derivatives as well as insecticide and acaricide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-01-09 US disclosed