SCHEMBL8865621

SCHEMBL8865621

N#CCc1cccc(C2=C3C=CC(=N3)C(c3cccc(CC#N)c3)=C3C=CC(=N3)C(c3cccc(CC#N)c3)=C3C=CC(=N3)C(c3cccc(CC#N)c3)=C3C=CC2=N3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 2/20 0.49
▸ ENPP2 Q13822 1/20 0.41
▸ TGFBR1 P36897 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ USP7 Q93009 1/20 0.36
▸ CDK2 P24941 1/20 0.35

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
SCHEMBL4262947 0.81 MMP3 (0.31) MMP3GSK3B
SCHEMBL4270053 0.80 CYP4F2 (0.38) —
SCHEMBL8865518 0.80 PNMT (0.39) ENPP2
SCHEMBL4266275 0.80 FOLH1 (0.35) —
SCHEMBL4262702 0.78 DAO (0.33) EGFRMEN1KMT2A
SCHEMBL4269993 0.78 DAO (0.33) EGFRMEN1KMT2A
SCHEMBL4006124 0.74 MMP3 (0.72) MMP3ENPP2TGFBR1KDM4ETDP1
SCHEMBL30504282 0.74 MMP3 (0.79) MMP3ENPP2TGFBR1KDM4ETDP1
SCHEMBL4009763 0.73 MMP3 (0.82) MMP3ENPP2TGFBR1KDM4ETDP1
SCHEMBL4001097 0.73 MMP3 (0.82) MMP3ENPP2TGFBR1KDM4ETDP1

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 3 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
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