SCHEMBL7883207

SCHEMBL7883207

COc1c(CN)cccc1Nc1cc(C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
KARS1 Q15046 6/20 0.46
TYK2 P29597 2/20 0.44
MAPK10 P53779 4/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
KDR P35968 1/20 0.39
NOS2 P35228 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
SCHEMBL7872415 0.89 MAPK10 (0.46) NPC1KARS1TYK2MAPK10MEN1
SCHEMBL7880201 0.86 KARS1 (0.43) NPC1KARS1TYK2MAPK10MEN1
SCHEMBL7880781 0.86 KARS1 (0.43) NPC1KARS1TYK2MAPK10MEN1
SCHEMBL7878698 0.84 KARS1 (0.49) NPC1KARS1MAPK10MEN1KMT2A
SCHEMBL7880192 0.83 KARS1 (0.48) NPC1KARS1MAPK10MEN1KMT2A
SCHEMBL27524202 0.83 KARS1 (0.48) NPC1KARS1MAPK10MEN1KMT2A
SCHEMBL27523583 0.80 KARS1 (0.46) NPC1KARS1MAPK10MEN1KMT2A
SCHEMBL7878572 0.76 KARS1 (0.50) NPC1KARS1MAPK10MEN1KMT2A
SCHEMBL27839436 0.74 KARS1 (0.47) NPC1KARS1MAPK10MEN1KMT2A
SCHEMBL4941362 0.73 MAPK10 (0.71) NPC1KARS1MAPK10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US claimed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP claimed
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed