SCHEMBL9726674

SCHEMBL9726674

CCCCCOc1cc(CNc2cnn(CC)c(=O)c2Cl)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.44
BPTF Q12830 2/20 0.44
BRD9 Q9H8M2 3/20 0.42
KAT2B Q92831 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMPD1 P17405 1/20 0.40
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL9726665 0.87 BRD4 (0.48) BRD4BPTFBRD9KAT2BKDM4E
SCHEMBL9726565 0.87 BPTF (0.45) BRD4BPTFBRD9KAT2BKDM4E
SCHEMBL9726673 0.82 BRD4 (0.46) BRD4BPTFBRD9KAT2BKDM4E
SCHEMBL9726489 0.82 ALDH1A1 (0.46) BRD4BPTFBRD9KAT2BKDM4E
SCHEMBL9829518 0.82 HTT (0.43) BRD4BPTFBRD9KAT2BSMPD1
SCHEMBL9726448 0.81 BRD4 (0.47) BRD4BPTFBRD9KAT2BKDM4E
SCHEMBL9726487 0.81 BRD4 (0.50) BRD4BPTFBRD9KAT2BKDM4E
SCHEMBL9829158 0.76 EPHX2 (0.38) BRD4BPTFBRD9KAT2BSMPD1
SCHEMBL9726627 0.76 BRD4 (0.52) BRD4BPTFBRD9KAT2BKDM4E
SCHEMBL9726619 0.76 BRD4 (0.49) BRD4BPTFBRD9KAT2BKDM4E

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