SCHEMBL9726549

SCHEMBL9726549

CCc1c(NCc2ccc(C)cc2C)cnn(CC)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
PDE4B Q07343 1/20 0.44
BRD9 Q9H8M2 8/20 0.43
BRD4 O60885 8/20 0.43
BRPF1 P55201 1/20 0.43
KAT2B Q92831 1/20 0.40
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
CNR2 P34972 1/20 0.38
BRD7 Q9NPI1 1/20 0.37
P2RX7 Q99572 2/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
HBB P68871 1/20 0.36

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
SCHEMBL9726532 0.88 BRD4 (0.52) NR3C1PGRPDE4BBRD9BRD4
SCHEMBL10602234 0.86 BRD4 (0.54) NR3C1PGRPDE4BBRD9BRD4
SCHEMBL10602679 0.86 NR3C1 (0.44) NR3C1PGRPDE4BBRD9BRD4
SCHEMBL9726404 0.77 PDE9A (0.49) PKMMAPTALDH1A1GAASMN1; SMN2
SCHEMBL9726518 0.72 BRD4 (0.51) BRD9BRD4BRPF1KAT2BCNR2
SCHEMBL9726506 0.72 ALDH1A1 (0.44) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL10601357 0.71 BRD4 (0.41) BRD9BRD4KAT2BPKMPKLR
SCHEMBL9726483 0.70 BRD4 (0.41) BRD9BRD4BRPF1KAT2BMAPT
SCHEMBL9726478 0.70 PDE9A (0.48) BRD9PKMMAPTALDH1A1GAA
SCHEMBL9726443 0.69 BACE1 (0.43) BRD9BRD4BRPF1ALDH1A1KMT2A

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