SCHEMBL8958641

SCHEMBL8958641

[N]=Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.55
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 4/20 0.50
ATM Q13315 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSP90AA1 P07900 1/20 0.47
PKM P14618 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TLR9 Q9NR96 1/20 0.47
CDC25B P30305 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SRD5A2 P31213 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 2/20 0.43
NR4A1 P22736 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL3426760 0.83 AKR1C3 (0.59) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL1535311 0.82 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL6888642 0.81 ALDH1A1 (0.56) AKR1C3GAAMAPTALDH1A1TDP1
SCHEMBL819015 0.78 AKR1C3 (0.53) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL29447165 0.78 AKR1C3 (0.85) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL700595 0.78 AKR1C3 (0.85) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL7928561 0.77 AKR1C3 (0.52) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL31346158 0.77 IDE (0.57) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL11196043 0.77 AKR1C3 (0.52) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL16602419 0.77 MAPT (0.53) AKR1C3GAAMAPTALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510468-A FOR DYEING NATURAL OR SYNTHETIC SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 1996-04-23 US claimed
EP-0572450-B1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AG (DE) 1994-10-26 EP claimed
US-5510468-A FOR DYEING NATURAL OR SYNTHETIC SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5510468-A FOR DYEING NATURAL OR SYNTHETIC SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5380859-A Couplers for preparing azo dyes BASF AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
US-5380859-A Couplers for preparing azo dyes BASF AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
EP-0572450-B1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AG (DE) 1994-10-26 EP disclosed
EP-0572450-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS. BASF AG (DE) 1993-12-08 EP disclosed
EP-0572450-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS. BASF AG (DE) 1993-12-08 EP disclosed
WO-1992014791-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1992-09-03 WO disclosed