SCHEMBL8942833

SCHEMBL8942833

COc1ccc(-c2nc(-c3c(F)cccc3Cl)nn2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KDM4C Q9H3R0 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B2 P37059 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 2/20 0.39
TEK Q02763 1/20 0.39
TGFBR1 P36897 1/20 0.39
MAPK14 Q16539 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL8942725 0.87 NR1H2 (0.49) NR1H2NR1H3KMT2AMEN1NPC1
SCHEMBL8942970 0.85 HSD17B2 (0.50) NR1H2NR1H3KMT2ANPC1RAB9A
SCHEMBL8304172 0.85 PSEN1 (0.42) NR1H2NR1H3KMT2AMEN1HSD17B2
SCHEMBL5727077 0.84 KMT2A (0.37) KMT2AMEN1NPC1RAB9AKDM4C
SCHEMBL9049556 0.84 MAPT (0.43) NR1H2NR1H3KMT2AMEN1NPC1
SCHEMBL8942539 0.82 NR1H2 (0.44) NR1H2NR1H3KMT2AMEN1NPC1
SCHEMBL8942480 0.82 NR1H2 (0.44) NR1H2NR1H3KMT2AMEN1NPC1
SCHEMBL8304815 0.81 NR1H2 (0.43) NR1H2NR1H3KMT2ANPC1RAB9A
SCHEMBL6951559 0.81 MEN1 (0.45) NR1H2NR1H3KMT2AMEN1NPC1
SCHEMBL8942557 0.80 KMT2A (0.48) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1

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