SCHEMBL1704422

SCHEMBL1704422

Cc1ccc2nc(NNc3nc4ccc(C)cc4n3C)n(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE2A O00408 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
TLR8 Q9NR97 1/20 0.43
IKBKB O14920 3/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.40
NQO2 P16083 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL2625546 0.82 MCHR1 (0.43) KDM4EHSD17B10PDE2APDE3BPDE3A
SCHEMBL1104857 0.80 KDM4E (0.58) KDM4EPDE2APDE3BPDE3ARAB9A
SCHEMBL24329592 0.80 MEN1 (0.51) KDM4EHSD17B10PDE2APDE3BPDE3A
SCHEMBL28053815 0.77 TLR8 (0.43) KDM4EPDE2APDE3BPDE3AGAA
SCHEMBL1704421 0.77 TLR8 (0.58) KDM4EPDE2APDE3BPDE3AGAA
SCHEMBL23638274 0.77 TLR8 (0.43) KDM4EHSD17B10PDE2APDE3BPDE3A
SCHEMBL29468491 0.77 TLR8 (0.43) KDM4EPDE2APDE3BPDE3AGAA
SCHEMBL979518 0.77 TLR8 (0.58) KDM4EPDE2APDE3BPDE3AGAA
SCHEMBL1707296 0.74 ALDH1A1 (0.58) KDM4EHSD17B10HPGDALDH1A1MAPT
SCHEMBL978780 0.74 ALDH1A1 (0.58) KDM4EHSD17B10HPGDALDH1A1MAPT

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-2440294-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-04-18 EP disclosed
WO-2010144680-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 WO disclosed