SCHEMBL8053052

SCHEMBL8053052

O=C(CC(=O)c1ccncc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 5/20 1.00
PLOD3 O60568 4/20 1.00
PLOD1 Q02809 4/20 1.00
CYP3A4 P08684 3/20 1.00
ALDH1A1 P00352 3/20 1.00
HPGD P15428 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2D6 P10635 2/20 1.00
CYP2C19 P33261 2/20 1.00
CYP2C9 P11712 1/20 1.00
HIF1A Q16665 1/20 1.00
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
KDM4E B2RXH2 2/20 0.74
MAPT P10636 1/20 0.74
ALOX15 P16050 1/20 0.74
CES1 P23141 1/20 0.74
MAPK1 P28482 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
TDP1 Q9NUW8 1/20 0.74

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
SCHEMBL10948430 0.91 PLOD2 (0.83) PLOD2PLOD3PLOD1CYP3A4ALDH1A1
SCHEMBL9195700 0.87 ALDH1A1 (0.77) PLOD2PLOD3PLOD1CYP3A4ALDH1A1
Dibenzoylmethane SCHEMBL28459361 0.86 KMT2A (0.90) PLOD2PLOD3PLOD1CYP3A4ALDH1A1
Dibenzoylmethane SCHEMBL28453613 0.86 HPGD (0.90) PLOD2PLOD3PLOD1CYP3A4ALDH1A1
Dibenzoylmethane SCHEMBL28456807 0.86 KMT2A (0.90) PLOD2PLOD3PLOD1CYP3A4ALDH1A1
Dibenzoylmethane SCHEMBL28899246 0.86 HPGD (0.90) PLOD2PLOD3PLOD1CYP3A4ALDH1A1
Dibenzoylmethane SCHEMBL28462129 0.86 KMT2A (0.90) PLOD2PLOD3PLOD1CYP3A4ALDH1A1
Dibenzoylmethane SCHEMBL39582 0.86 MEN1 (1.00) PLOD2PLOD3PLOD1CYP3A4ALDH1A1
Dibenzoylmethane SCHEMBL1704711 0.86 MEN1 (1.00) PLOD2PLOD3PLOD1CYP3A4ALDH1A1
Dibenzoylmethane SCHEMBL10356288 0.86 MEN1 (1.00) PLOD2PLOD3PLOD1CYP3A4ALDH1A1

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
EP-0998256-A1 USE OF DI- AND OLIGOACYLAROMATS FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-05-10 EP disclosed
WO-1999004754-A1 USE OF DI- AND OLIGOACYLAROMATS FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-02-04 WO disclosed
US-5433896-A FLUORESCENT MOLECULAR PROBES, INC. (US) 1995-07-18 US disclosed
US-4032526-A PLANT FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-06-28 US disclosed
US-3988348-A FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1976-10-26 US disclosed
US-3941881-A Novel 3 or 5-aminopyrazolium salts and fungicidal use thereof AMERICAN CYANAMID COMPANY (US) 1976-03-02 US disclosed