SCHEMBL8865142

SCHEMBL8865142

CC(=O)Nc1cccc(C2=C3C=CC(=N3)C(c3cccc(NC(C)=O)c3)=C3C=CC(=N3)C(c3cccc(NC(C)=O)c3)=C3C=CC(=N3)C(c3cccc(NC(C)=O)c3)=C3C=CC2=N3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ NQO2 P16083 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ POLB P06746 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ TP53 P04637 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ PSMB11 A5LHX3 1/20 0.47

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
SCHEMBL10568742 0.82 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL6394832 0.80 BRD4 (0.36) SMN1; SMN2TSHRALDH1A1MAPTHPGD
SCHEMBL7239834 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7241026 0.76 TSHR (0.49) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL7265162 0.74 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EMAPTMEN1
SCHEMBL3786463 0.73 NQO2 (0.73) NPC1RAB9ASMN1; SMN2NQO2TSHR
SCHEMBL25395982 0.73 KMO (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1901172 0.72 ALDH1A1 (0.76) RAB9ASMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL8577619 0.72 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2NQO2TSHR
SCHEMBL8907747 0.71 SLC7A5 (0.44) NPC1RAB9ASMN1; SMN2TSHRALDH1A1

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
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
EP-0684948-A1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME. DIAGNOSTIKFORSCHUNG INST (DE) 1995-12-06 — — EP 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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