SCHEMBL9726408

SCHEMBL9726408

CC(C)n1ncc(NCc2cccc(OCCCCC(=O)OC(C)(C)C)c2)c(Cl)c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.42
BRD9 Q9H8M2 3/20 0.42
BPTF Q12830 2/20 0.42
PDE9A O76083 3/20 0.41
KAT2B Q92831 2/20 0.39
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNT1 O60563 1/20 0.36
KDM5A P29375 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM5B Q9UGL1 1/20 0.34
P2RX7 Q99572 1/20 0.34
MMP13 P45452 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33

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
SCHEMBL9726707 0.92 BRD4 (0.45) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726500 0.89 BRD4 (0.46) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726526 0.87 BRD4 (0.44) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726512 0.85 BRD4 (0.47) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726528 0.81 BRD4 (0.52) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726508 0.80 BRD4 (0.52) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726428 0.75 BRD4 (0.56) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL10601213 0.74 BRD4 (0.73) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726410 0.73 BRD4 (0.70) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726477 0.72 PDE9A (0.48) BRD4BRD9BPTFPDE9ASMN1; SMN2

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