SCHEMBL7812554

SCHEMBL7812554

COC(=O)c1ncccc1-c1cccnc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
KDM4E B2RXH2 11/20 0.50
ALDH1A1 P00352 6/20 0.50
ALOX15 P16050 3/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.45
MYC P01106 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAP2K1 Q02750 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41

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
SCHEMBL69177 0.93 L3MBTL1 (0.64) L3MBTL1KDM4EALDH1A1ALOX15MAPT
SCHEMBL698991 0.85 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1TSHRTDP1
SCHEMBL4068646 0.82 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1ALOX15MAPT
SCHEMBL25307003 0.82 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1CYP1A2GAA
SCHEMBL22290177 0.82 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1ALOX15MAPT
SCHEMBL7833006 0.81 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1ALOX15MAPT
SCHEMBL30503698 0.81 KDM4E (0.67) L3MBTL1KDM4EALDH1A1ALOX15MAPT
SCHEMBL519094 0.81 KDM4E (0.67) L3MBTL1KDM4EALDH1A1ALOX15MAPT
SCHEMBL519095 0.81 KDM4E (0.67) L3MBTL1KDM4EALDH1A1ALOX15MAPT
SCHEMBL29559479 0.81 KDM4E (0.67) L3MBTL1KDM4EALDH1A1ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439794-A Spectroscopically or photoactively determination when bound to Dna THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-08-08 US claimed
US-5157032-A Spectroscopically or photoactively determinable THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1992-10-20 US claimed
US-5112974-A Targets tumor cells for radiation treatment, metal complexes with amines or imines THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1992-05-12 US claimed
WO-1990005732-A1 MIXED LIGAND COMPLEXES AND USES THEREOF AS BINDING AGENTS AND PROBRES TO DNA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OFNEW YORK (US) 1990-05-31 WO claimed
US-6323303-B1 POLYMERIZING DIARYLOXY COMPOUND WITH A DIHYDRIC PHENOL COMPOUND IN THE PRESENCE OF A RUTHENIUM (II) OR RUTHENIUM (III) COMPOUND OR COMPLEX; OPTIONALLY IN PRESENCE OF A TETRAALKYL AMMONIUM OR TETRAALKYL PHOSPHONIUM SALT GENERAL ELECTRIC COMPANY 2001-11-27 US disclosed
US-5112974-A Targets tumor cells for radiation treatment, metal complexes with amines or imines THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1992-05-12 US disclosed