SCHEMBL9726550

SCHEMBL9726550

CCCOc1cc(CNc2cnn(CC)c(=O)c2C)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.41
BRD4 O60885 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
POLB P06746 2/20 0.41
THRB P10828 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE4B Q07343 2/20 0.39
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
APAF1 O14727 1/20 0.38
JAK3 P52333 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
SCHEMBL9726418 0.92 KDM4E (0.46) PDE5ABRD4BRD9POLBTHRB
SCHEMBL9726466 0.89 PDE5A (0.41) PDE5APOLBTHRBMEN1KMT2A
SCHEMBL9726673 0.89 BRD4 (0.46) PDE5ABRD4BRD9POLBKMT2A
SCHEMBL9726545 0.89 PDE5A (0.41) PDE5APOLBTHRBMEN1KMT2A
SCHEMBL9726861 0.86 POLB (0.41) BRD4BRD9POLBTHRBMEN1
SCHEMBL9726575 0.81 BRD4 (0.47) BRD4BRD9APAF1
SCHEMBL9726489 0.81 ALDH1A1 (0.46) PDE5ABRD4BRD9POLBTHRB
SCHEMBL9726693 0.80 KDM4E (0.45) PDE5APOLBTHRBMEN1KMT2A
SCHEMBL9726506 0.80 ALDH1A1 (0.44) PDE5APOLBTHRBMEN1KMT2A
SCHEMBL9726397 0.78 KDM4E (0.45) BRD4BRD9POLBTHRBMEN1

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