SCHEMBL458134

SCHEMBL458134

CC(C)(O)CNc1cc(-c2ccc(F)cc2)nn2cc(-c3ccc(C=O)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
F2RL1 P55085 5/20 0.37
FPR2 P25090 1/20 0.37
SCN9A Q15858 1/20 0.37
ASIC1 P78348 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
GSK3A P49840 1/20 0.34
ACP1 P24666 1/20 0.34

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
SCHEMBL469993 0.80 FYN (0.49) ASIC1
SCHEMBL458258 0.73 TTK (0.51)
SCHEMBL10279704 0.71 TTK (0.46)
SCHEMBL15555404 0.69 TTK (0.46)
SCHEMBL19637046 0.66 F2RL1 (0.47) F2F2RL1ASIC1RAB9ANPC1
SCHEMBL16598407 0.66 F2RL1 (0.51) F2F2RL1SCN9ACFTR
SCHEMBL16598377 0.65 F2RL1 (0.50) F2F2RL1RAB9ANPC1F2RL3
SCHEMBL16598616 0.64 F2RL1 (0.58) F2F2RL1SCN9ACFTR
SCHEMBL16598416 0.63 F2RL1 (0.57) F2F2RL1RAB9ANPC1F2RL3
SCHEMBL10279503 0.63 TTK (0.50)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed