SCHEMBL8196401

SCHEMBL8196401

c1cc(C2=NCCN2)cc(-c2cc3ccccc3o2)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 10/20 0.74
MAOB P27338 4/20 0.74
MAOA P21397 3/20 0.74
ALDH1A1 P00352 2/20 0.74
CYP1A2 P05177 2/20 0.74
HPGD P15428 2/20 0.74
HSD17B10 Q99714 2/20 0.74
KDM4E B2RXH2 1/20 0.74
ADRA2A P08913 1/20 0.74
CYP2D6 P10635 1/20 0.74
ADRA2B P18089 1/20 0.74
ADRA2C P18825 1/20 0.74
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
PRMT1 Q99873 2/20 0.50
PRMT3 O60678 1/20 0.50
EHMT2 Q96KQ7 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50

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
SCHEMBL5033131 0.89 PRMT1 (0.62) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL5030461 0.89 PRMT1 (0.64) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL8195760 0.89 NISCH (0.78) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL563160 0.86 NISCH (1.00) NISCHMAOBMAOAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL4206556 0.84 NISCH (0.97) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL5032907 0.79 PRMT1 (0.66) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL5028113 0.79 PRMT1 (0.68) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL9189709 0.79 NISCH (0.85) NISCHMAOB
SCHEMBL24495491 0.76 NISCH (1.00) NISCHMAOBALDH1A1CYP1A2HPGD
Hydrochloric Acid SCHEMBL7736303 0.76 NISCH (0.58) NISCHMAOBMAOAALDH1A1CYP1A2

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-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed