SCHEMBL10609291

SCHEMBL10609291

C=C(C=C(C=O)c1ccc(F)cc1)c1nnn(CC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.39
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.34
PKM P14618 1/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32

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
SCHEMBL10609288 1.00 TRPM8 (0.39) TRPM8RAB9ASMN1; SMN2NPC1PKM
SCHEMBL10612229 0.81 AOC3 (0.30) AOC3
SCHEMBL10609294 0.80 RAB9A (0.41) TRPM8RAB9ASMN1; SMN2NPC1PKM
SCHEMBL9726403 0.78 TRPM8 (0.42) TRPM8RAB9ASMN1; SMN2NPC1PKM
SCHEMBL10609399 0.72 HMGCR (0.40) RAB9ASMN1; SMN2PKMTP53LMNA
SCHEMBL10610689 0.72 HMGCR (0.40) RAB9ASMN1; SMN2PKMTP53LMNA
SCHEMBL9726405 0.71 TRPM8 (0.39) TRPM8RAB9ASMN1; SMN2NPC1PKM
SCHEMBL9726401 0.71 TRPM8 (0.39) TRPM8RAB9ASMN1; SMN2NPC1PKM
SCHEMBL9726587 0.69 TRPM8 (0.43) TRPM8RAB9ASMN1; SMN2NPC1PKM
SCHEMBL28766859 0.69 TRPM8 (0.41) TRPM8RAB9ASMN1; SMN2NPC1PKM

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
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed