SCHEMBL26654154

SCHEMBL26654154

FC(F)(F)c1ccn(-c2cc[c]nc2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
PRMT6 Q96LA8 1/20 0.38
POLB P06746 1/20 0.38
IDH1 O75874 6/20 0.35
IDH2 P48735 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
MGLL Q99685 1/20 0.32
USP1 O94782 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL695186 0.80 NPC1 (0.50) NPC1RAB9AMAPTNPSR1HTT
SCHEMBL28869852 0.78 NPC1 (0.48) NPC1RAB9AMAPTNPSR1HTT
SCHEMBL2692140 0.72 NPC1 (0.46) NPC1RAB9AMAPTNPSR1HTT
SCHEMBL4608788 0.72 NPC1 (0.45) NPC1RAB9AMAPTNPSR1HTT
SCHEMBL1094013 0.72 NPC1 (0.63) NPC1RAB9AMAPTNPSR1HTT
SCHEMBL30276673 0.71 POLB (0.46) NPC1RAB9AMAPTNPSR1HTT
SCHEMBL30999699 0.70 NPC1 (0.54) NPC1RAB9AMAPTNPSR1HTT
SCHEMBL21023945 0.70 NPC1 (0.54) NPC1RAB9AMAPTNPSR1HTT
SCHEMBL24484298 0.69 NPC1 (0.52) NPC1RAB9AMAPTNPSR1HTT
SCHEMBL15299351 0.69 NPC1 (0.52) NPC1RAB9AMAPTNPSR1HTT

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
EP-3784661-B1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-11-22 EP claimed
CN-112204021-A Novel heteroaryltriazole and heteroaryltetrazole compounds as pesticides 拜耳公司 2021-01-08 CN claimed
CN-112204021-A Novel heteroaryltriazole and heteroaryltetrazole compounds as pesticides 拜耳公司 2021-01-08 CN disclosed