SCHEMBL6257619

SCHEMBL6257619

CCCCn1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c(C(N)=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
SMPD1 P17405 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 1/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NTRK1 P04629 1/20 0.39
PIM1 P11309 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GABRA1 P14867 1/20 0.39

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
SCHEMBL6257620 0.93 TP53 (0.44) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6260962 0.89 TP53 (0.53) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6259201 0.83 KDM4E (0.43) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6256500 0.81 CYP1A2 (0.53) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6254733 0.81 PTGIR (0.50) TP53KDM4EALDH1A1HPGD
SCHEMBL6255253 0.80 PTGIR (0.46) TP53KDM4EALDH1A1HPGDPOLB
SCHEMBL6276770 0.79 PTGIR (0.46) TP53KDM4EALDH1A1HPGDMEN1
SCHEMBL6256001 0.79 GRIA2 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2RXFP1
SCHEMBL6255329 0.77 SRC (0.48) TP53ALDH1A1SMN1; SMN2LMNANTRK1
SCHEMBL6256484 0.73 KDM4E (0.43) TP53KDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156039-B1 PYRIDAZIN-3-ONE DERIVATIVES AND MEDICINES CONTAINING THE SAME KOWA CO (JP) 2005-10-05 EP disclosed
US-6680316-B1 INTERLEUKIN INHIBITORS; AUTOIMMUNE, RHEUMATIC, AND GASTROINTESTINAL DISORDERS; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTIISCHEMIC, AND ANTIARTHRITIC AGENTS KOWA CO., LTD. (JP) 2004-01-20 US disclosed
EP-1156039-A1 PYRIDAZIN-3-ONE DERIVATIVES AND MEDICINES CONTAINING THE SAME Kowa Co., Ltd. (JP) 2001-11-21 EP disclosed