SCHEMBL9726489

SCHEMBL9726489

CCCOc1cc(CNc2cnn(CC)c(=O)c2Cl)ccc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
BRD4 O60885 5/20 0.46
BPTF Q12830 2/20 0.46
BRD9 Q9H8M2 3/20 0.43
KAT2B Q92831 2/20 0.43
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
PDE5A O76074 1/20 0.39
HTT P42858 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL9726487 0.95 BRD4 (0.50) ALDH1A1MAPTKDM4EBRD4BPTF
SCHEMBL9726673 0.92 BRD4 (0.46) ALDH1A1MAPTKDM4EBRD4BPTF
SCHEMBL9726674 0.82 BRD4 (0.44) ALDH1A1MAPTKDM4EBRD4BPTF
SCHEMBL9726627 0.82 BRD4 (0.52) ALDH1A1MAPTKDM4EBRD4BPTF
SCHEMBL9726550 0.81 PDE5A (0.41) ALDH1A1MAPTKDM4EBRD4BRD9
SCHEMBL9726437 0.81 BPTF (0.50) ALDH1A1MAPTKDM4EBRD4BPTF
SCHEMBL9726466 0.80 PDE5A (0.41) ALDH1A1MAPTKDM4EPOLBPDE5A
SCHEMBL9726545 0.80 PDE5A (0.41) ALDH1A1MAPTKDM4EPOLBPDE5A
SCHEMBL9726581 0.79 BRD4 (0.54) ALDH1A1MAPTKDM4EBRD4BPTF
SCHEMBL9726619 0.79 BRD4 (0.49) ALDH1A1MAPTKDM4EBRD4BPTF

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
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed