SCHEMBL8865518

SCHEMBL8865518

NCc1cccc(C2=C3C=CC(=N3)C(c3cccc(CN)c3)=C3C=CC(=N3)C(c3cccc(CN)c3)=C3C=CC(=N3)C(c3cccc(CN)c3)=C3C=CC2=N3)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ CDK8 P49336 1/20 0.38
▸ LOXL2 Q9Y4K0 3/20 0.38
▸ TAAR1 Q96RJ0 3/20 0.37
▸ NOS3 P29474 2/20 0.37
▸ NOS1 P29475 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ CFD P00746 3/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ KARS1 Q15046 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33

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
SCHEMBL4266275 0.83 FOLH1 (0.35) —
SCHEMBL4270053 0.83 CYP4F2 (0.38) —
SCHEMBL3999483 0.83 TAAR1 (0.55) LOXL2TAAR1CYP2A6CSNK2A1
SCHEMBL8865621 0.80 MMP3 (0.49) ENPP2
SCHEMBL5918888 0.77 MAOA (0.45) ENPP2
SCHEMBL4262947 0.76 MMP3 (0.31) —
SCHEMBL8907747 0.74 SLC7A5 (0.44) CFD
SCHEMBL4260955 0.74 CYP2C9 (0.36) TAAR1NOS1CYP2A6
SCHEMBL5918887 0.74 IDO1 (0.39) —
SCHEMBL249200 0.74 HSD17B1 (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684948-B1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME DIAGNOSTIKFORSCHUNG INST (DE) 1997-10-22 — — EP disclosed
US-5674467-A USED IN NMR DIAGNOSIS, RADIODIAGNOSIS OR RADIOTHERAPY INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1997-10-07 — — US disclosed
WO-1994019352-A1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1994-09-01 — — WO disclosed
US-5217966-A Synthetic drug molecules that mimic metalloenzymes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-06-08 — — US disclosed
US-5202317-A SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-04-13 — — US disclosed
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