SCHEMBL9726565

SCHEMBL9726565

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.45
BRD4 O60885 4/20 0.41
BRD9 Q9H8M2 3/20 0.41
KAT2B Q92831 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 3/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMPD1 P17405 1/20 0.39
CNR2 P34972 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL9726674 0.87 BRD4 (0.44) BPTFBRD4BRD9KAT2BKDM4E
SCHEMBL9726613 0.86 BPTF (0.49) BPTFBRD4BRD9KAT2BKDM4E
SCHEMBL9726609 0.83 BPTF (0.46) BPTFBRD4BRD9KAT2BTSHR
SCHEMBL9726437 0.81 BPTF (0.50) BPTFBRD4BRD9KAT2BKDM4E
SCHEMBL10599611 0.79 BPTF (0.47) BPTFBRD4BRD9KAT2BKDM4E
SCHEMBL9726512 0.76 BRD4 (0.47) BPTFBRD4BRD9KAT2BKDM4E
SCHEMBL9726428 0.76 BRD4 (0.56) BPTFBRD4BRD9KAT2BSMN1; SMN2
SCHEMBL10601786 0.76 BPTF (0.53) BPTFBRD4BRD9KAT2BRAB9A
SCHEMBL9829518 0.75 HTT (0.43) BPTFBRD4BRD9KAT2BSMPD1
SCHEMBL9726528 0.75 BRD4 (0.52) BPTFBRD4BRD9KAT2BKDM4E

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