SCHEMBL8865129

SCHEMBL8865129

CC(=O)Nc1cccc(-c2c3nc(c(-c4cccc(NC(C)=O)c4)c4ccc([nH]4)c(-c4cccc(NC(C)=O)c4)c4nc(c(-c5cccc(NC(C)=O)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ MTNR1A P48039 1/20 0.50
▸ MTNR1B P49286 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ TOP1 P11387 1/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ DHODH Q02127 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ TSHR P16473 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
SCHEMBL8994447 0.83 TOP1 (0.60) KMT2AKDM4ESMN1; SMN2MEN1TP53
SCHEMBL6394821 0.82 TERT (0.49) STAT1TOP1CYCSABCG2
SCHEMBL2125691 0.81 JAK3 (0.53) KMT2AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL14077524 0.81 ABCG2 (0.54) KMT2AKDM4ESMN1; SMN2MEN1TP53
SCHEMBL9910535 0.79 ABCG2 (0.55) KMT2AKDM4ESMN1; SMN2MEN1TP53
SCHEMBL7239829 0.78 ALDH1A1 (0.54) KMT2AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL7241022 0.78 TOP1 (0.58) KMT2AKDM4ESMN1; SMN2MEN1ALDH1A1
Acetic Acid SCHEMBL9639956 0.77 TOP1 (0.67) STAT1TOP1CYCSABCG2
SCHEMBL7265156 0.76 MTNR1A (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDMTNR1A
SCHEMBL10223078 0.76 KDM4E (0.57) KMT2AKDM4ESMN1; SMN2MEN1TP53

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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