SCHEMBL5163435

SCHEMBL5163435

Cc1cncn1-c1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
MAPK10 P53779 8/20 0.50
MAPK9 P45984 6/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HTR3A P46098 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL3272205 0.77 CYP3A4 (0.53) MAOAMAOBCYP3A4CYP2C9CYP2D6
SCHEMBL729866 0.74 MAOA (1.00) MAOAMAOBCYP3A4CYP2C9CYP2D6
SCHEMBL27951163 0.74 CYP3A4 (0.46) MAOAMAOBCYP3A4CYP2C9CYP2D6
SCHEMBL28757722 0.72 MAOA (0.45) MAOAMAOBCYP3A4CYP2C9CYP2D6
SCHEMBL25442241 0.71 CYP3A4 (0.51) MAOAMAOBCYP3A4CYP2C9CYP2D6
SCHEMBL28101726 0.71 MAPK14 (0.48) MAOAMAOBMAPK10MAPK9CYP2C9
SCHEMBL18500656 0.71 CYP3A4 (0.54) MAOAMAOBCYP3A4CYP2C9CYP2D6
SCHEMBL3607993 0.71 CYP2A6 (0.55) MAOAMAOBCYP3A4CYP2C9CYP2D6
SCHEMBL11380013 0.71 CYP3A4 (0.54) MAOAMAOBCYP3A4CYP2C9CYP2D6
SCHEMBL27765414 0.70 MAOB (0.51) MAOAMAOBCYP3A4CYP2C9CYP2D6

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-1753728-A1 PHENYLNAPHTHYLIMIDAZOLES FOR USE ON COPPER SURFACES DURING SOLDERING SHIKOKU CHEMICALS CORPORATION (JP) 2007-02-21 EP disclosed
WO-2005121101-A1 PHENYLNAPHTHYLIMIDAZOLES FOR USE ON COPPER SURFACES DURING SOLDERING SHIKOKU CHEMICALS CORPORATION (JP) 2005-12-22 WO disclosed