SCHEMBL9726508

SCHEMBL9726508

CC(C)n1ncc(NCc2cccc(OCc3ccccc3)c2)c(Cl)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.52
BRD9 Q9H8M2 3/20 0.52
KAT2B Q92831 2/20 0.52
BPTF Q12830 2/20 0.49
BCHE P06276 4/20 0.47
PDE9A O76083 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FFAR1 O14842 1/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL9726528 0.90 BRD4 (0.52) BRD4BRD9KAT2BBPTFPDE9A
SCHEMBL9726500 0.85 BRD4 (0.46) BRD4BRD9KAT2BBPTFPDE9A
SCHEMBL9726410 0.85 BRD4 (0.70) BRD4BRD9KAT2BBPTFPDE9A
SCHEMBL9726512 0.85 BRD4 (0.47) BRD4BRD9KAT2BBPTFPDE9A
SCHEMBL9726428 0.83 BRD4 (0.56) BRD4BRD9KAT2BBPTFPDE9A
SCHEMBL9726707 0.82 BRD4 (0.45) BRD4BRD9KAT2BBPTFPDE9A
SCHEMBL10601213 0.82 BRD4 (0.73) BRD4BRD9KAT2BBPTFPDE9A
SCHEMBL9726526 0.82 BRD4 (0.44) BRD4BRD9KAT2BBPTFPDE9A
SCHEMBL9726408 0.80 BRD4 (0.42) BRD4BRD9KAT2BBPTFPDE9A
SCHEMBL9726558 0.78 PDE9A (0.49) BRD4BRD9BPTFPDE9AL3MBTL1

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