SCHEMBL9726869

SCHEMBL9726869

CCc1cc(CNc2cnn(C(C)C)c(=O)c2Cl)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.49
BRD4 O60885 5/20 0.45
BRD9 Q9H8M2 3/20 0.45
KAT2B Q92831 3/20 0.44
PDE9A O76083 6/20 0.41
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.39
PDE5A O76074 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9726598 0.90 BPTF (0.52) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL10599611 0.88 BPTF (0.47) BPTFBRD4BRD9KAT2BKMT2A
SCHEMBL9726609 0.86 BPTF (0.46) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726613 0.85 BPTF (0.49) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726619 0.85 BRD4 (0.49) BPTFBRD4BRD9KAT2BKMT2A
SCHEMBL9726437 0.84 BPTF (0.50) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726419 0.80 PDE9A (0.61) BPTFBRD4KAT2BPDE9ALMNA
SCHEMBL10681057 0.79 BPTF (0.42) BPTFKAT2BPDE9ACNR2LMNA
SCHEMBL10599280 0.79 BRD4 (0.70) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL10601786 0.78 BPTF (0.53) BPTFBRD4BRD9KAT2BPDE9A

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 claimed
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 claimed
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 claimed