SCHEMBL7368133

SCHEMBL7368133

COc1ccc(CNc2cn[nH]c(=O)c2Cl)cc1OCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
POLB P06746 2/20 0.64
PKM P14618 1/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
APAF1 O14727 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 4/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9828182 0.89 KMT2A (0.79) KMT2APOLBPKMMAPTALDH1A1
SCHEMBL9828111 0.89 KMT2A (0.68) KMT2APOLBPKMMAPTALDH1A1
SCHEMBL9828399 0.87 KMT2A (0.66) KMT2APOLBPKMMAPTALDH1A1
SCHEMBL9828492 0.86 KMT2A (0.64) KMT2APOLBPKMMAPTALDH1A1
SCHEMBL9827887 0.85 KMT2A (0.63) KMT2APOLBPKMMAPTALDH1A1
SCHEMBL7375489 0.84 KMT2A (0.55) KMT2APOLBMAPTALDH1A1KDM4E
SCHEMBL9827437 0.84 POLB (0.62) KMT2APOLBMAPTALDH1A1KDM4E
SCHEMBL7372988 0.83 KMT2A (0.52) KMT2APOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL7373350 0.83 POLB (0.54) KMT2APOLBPKMALDH1A1KDM4E
SCHEMBL8682517 0.82 KMT2A (0.53) KMT2APOLBALDH1A1KDM4ESMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed
EP-0706517-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-04-17 EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed