SCHEMBL9726637

SCHEMBL9726637

CC(C)n1ncc(NCc2ccc(C(=O)O)cc2)c(Cl)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 3/20 0.54
BRD4 O60885 4/20 0.53
BRD9 Q9H8M2 3/20 0.53
KAT2B Q92831 3/20 0.53
PDE9A O76083 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL9726410 0.87 BRD4 (0.70) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL10599280 0.85 BRD4 (0.70) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726376 0.84 BPTF (0.47) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL10603023 0.82 BPTF (0.55) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726805 0.81 BRD4 (0.53) BPTFBRD4BRD9KAT2BSMN1; SMN2
SCHEMBL10601786 0.81 BPTF (0.53) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726428 0.78 BRD4 (0.56) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726598 0.77 BPTF (0.52) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726613 0.77 BPTF (0.49) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL10601213 0.77 BRD4 (0.73) 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 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