SCHEMBL9726693

SCHEMBL9726693

CCOc1cc(CNc2cnn(CC)c(=O)c2CC)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
APAF1 O14727 1/20 0.45
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE5A O76074 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL9726506 0.94 ALDH1A1 (0.44) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726466 0.92 PDE5A (0.41) KDM4EALDH1A1MAPTAPAF1LMNA
SCHEMBL9726418 0.88 KDM4E (0.46) KDM4EALDH1A1MAPTAPAF1LMNA
SCHEMBL9726540 0.86 KDM4E (0.44) KDM4EALDH1A1MAPTAPAF1LMNA
SCHEMBL9726487 0.82 BRD4 (0.50) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726483 0.81 BRD4 (0.41) MAPTSMN1; SMN2
SCHEMBL9726550 0.80 PDE5A (0.41) KDM4EALDH1A1MAPTAPAF1LMNA
SCHEMBL9726545 0.80 PDE5A (0.41) KDM4EALDH1A1MAPTAPAF1LMNA
SCHEMBL9726673 0.80 BRD4 (0.46) KDM4EALDH1A1MAPTTSHRPDE5A
SCHEMBL9726489 0.78 ALDH1A1 (0.46) KDM4EALDH1A1MAPTLMNASMN1; 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