SCHEMBL9726665

SCHEMBL9726665

CCn1ncc(NCc2ccc(O)c(OC)c2)c(Cl)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.48
BPTF Q12830 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BRD9 Q9H8M2 3/20 0.46
KAT2B Q92831 2/20 0.45
JAK3 P52333 1/20 0.45
PDE5A O76074 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9726448 0.92 BRD4 (0.47) BRD4BPTFALDH1A1HPGDALOX15
SCHEMBL9726674 0.87 BRD4 (0.44) BRD4BPTFALDH1A1HPGDALOX15
SCHEMBL9726619 0.86 BRD4 (0.49) BRD4BPTFALDH1A1KDM4EPOLB
SCHEMBL9726673 0.85 BRD4 (0.46) BRD4BPTFALDH1A1KDM4EPOLB
SCHEMBL9726613 0.84 BPTF (0.49) BRD4BPTFALDH1A1HPGDALOX15
SCHEMBL9726487 0.83 BRD4 (0.50) BRD4BPTFALDH1A1KDM4EPOLB
SCHEMBL9726415 0.82 BRD4 (0.49) BRD4BPTFALDH1A1HPGDKDM4E
SCHEMBL9828337 0.81 BRD4 (0.46) BRD4BPTFALDH1A1HPGDKDM4E
SCHEMBL9726489 0.78 ALDH1A1 (0.46) BRD4BPTFALDH1A1KDM4EPOLB
SCHEMBL9726824 0.77 PDE9A (0.49) BRD4BPTFALDH1A1HPGDGAA

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