SCHEMBL9726566

SCHEMBL9726566

COC(=O)c1cc(CNc2cnn(C(C)(C)C)c(=O)c2Cl)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
HPGD P15428 2/20 0.47
BRD4 O60885 4/20 0.45
BRD9 Q9H8M2 3/20 0.45
KAT2B Q92831 2/20 0.42
BPTF Q12830 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
PDE5A O76074 3/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
PDE6D O43924 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE6H Q13956 1/20 0.39

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
SCHEMBL9726479 0.83 BRD4 (0.50) LMNAHPGDBRD4BRD9KAT2B
SCHEMBL9726805 0.77 BRD4 (0.53) LMNAHPGDBRD4BRD9KAT2B
SCHEMBL9726461 0.74 BRD4 (0.49) LMNAHPGDBRD4BRD9KAT2B
SCHEMBL9828337 0.73 BRD4 (0.46) LMNAHPGDBRD4BRD9KAT2B
SCHEMBL9726412 0.73 BRD4 (0.53) LMNABRD4BRD9KAT2BBPTF
Hydrochloric Acid SCHEMBL9726406 0.73 BRD4 (0.52) LMNABRD4BRD9KAT2BBPTF
SCHEMBL9726598 0.71 BPTF (0.52) LMNAHPGDBRD4BRD9KAT2B
SCHEMBL15596726 0.71 SMN1; SMN2 (0.42) LMNAHPGDMEN1KMT2AITGB1
SCHEMBL9726537 0.71 BRD4 (0.45) LMNAHPGDBRD4BRD9KAT2B
SCHEMBL9726415 0.70 BRD4 (0.49) LMNAHPGDBRD4BRD9KAT2B

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