SCHEMBL9726487

SCHEMBL9726487

CCOc1ccc(CNc2cnn(CC)c(=O)c2Cl)cc1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.50
BPTF Q12830 2/20 0.50
MAPT P10636 4/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
BRD9 Q9H8M2 3/20 0.47
KAT2B Q92831 3/20 0.46
POLB P06746 3/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
PDE5A O76074 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
F7 P08709 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
THRB P10828 2/20 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
SCHEMBL9726489 0.95 ALDH1A1 (0.46) BRD4BPTFMAPTKDM4EALDH1A1
SCHEMBL9726673 0.86 BRD4 (0.46) BRD4BPTFMAPTKDM4EALDH1A1
SCHEMBL9726437 0.85 BPTF (0.50) BRD4BPTFMAPTKDM4EALDH1A1
SCHEMBL9726581 0.83 BRD4 (0.54) BRD4BPTFMAPTKDM4EALDH1A1
SCHEMBL9726619 0.83 BRD4 (0.49) BRD4BPTFMAPTKDM4EALDH1A1
SCHEMBL9726665 0.83 BRD4 (0.48) BRD4BPTFMAPTKDM4EALDH1A1
SCHEMBL9726418 0.83 KDM4E (0.46) BRD4MAPTKDM4EALDH1A1BRD9
SCHEMBL9726693 0.82 KDM4E (0.45) MAPTKDM4EALDH1A1POLBPDE5A
SCHEMBL9726674 0.81 BRD4 (0.44) BRD4BPTFMAPTKDM4EALDH1A1
SCHEMBL10599611 0.80 BPTF (0.47) BRD4BPTFMAPTKDM4EALDH1A1

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 2 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-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed