SCHEMBL9726448

SCHEMBL9726448

CCCn1ncc(NCc2ccc(O)c(OC)c2)c(Cl)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
BRD9 Q9H8M2 3/20 0.47
KAT2B Q92831 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BPTF Q12830 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL9726665 0.92 BRD4 (0.48) BRD4BRD9KAT2BALDH1A1HPGD
SCHEMBL9726415 0.91 BRD4 (0.49) BRD4BRD9KAT2BALDH1A1HPGD
SCHEMBL9726613 0.82 BPTF (0.49) BRD4BRD9KAT2BALDH1A1HPGD
SCHEMBL9726674 0.81 BRD4 (0.44) BRD4BRD9KAT2BALDH1A1HPGD
SCHEMBL9829518 0.81 HTT (0.43) BRD4BRD9KAT2BBPTF
SCHEMBL9827204 0.80 BRD4 (0.47) BRD4BRD9KAT2BALDH1A1HPGD
SCHEMBL9828337 0.79 BRD4 (0.46) BRD4BRD9KAT2BALDH1A1HPGD
SCHEMBL9726673 0.79 BRD4 (0.46) BRD4BRD9KAT2BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10423228 0.79 BRD4 (0.46) BRD4BRD9KAT2BALDH1A1HPGD
SCHEMBL9726619 0.78 BRD4 (0.49) BRD4BRD9KAT2BALDH1A1KDM4E

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