SCHEMBL9726418

SCHEMBL9726418

CCOc1cc(CNc2cnn(CC)c(=O)c2C)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
APAF1 O14727 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PDE5A O76074 1/20 0.42
BRD4 O60885 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
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
SCHEMBL9726550 0.92 PDE5A (0.41) KDM4EALDH1A1MAPTAPAF1LMNA
SCHEMBL9726693 0.88 KDM4E (0.45) KDM4EALDH1A1MAPTAPAF1LMNA
SCHEMBL9726397 0.85 KDM4E (0.45) KDM4EALDH1A1MAPTAPAF1LMNA
SCHEMBL9726487 0.83 BRD4 (0.50) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726506 0.81 ALDH1A1 (0.44) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726399 0.81 BRD4 (0.49) MAPTSMN1; SMN2BRD4BRD9
SCHEMBL9726673 0.81 BRD4 (0.46) KDM4EALDH1A1MAPTTSHRKMT2A
SCHEMBL9726466 0.81 PDE5A (0.41) KDM4EALDH1A1MAPTAPAF1LMNA
SCHEMBL9726545 0.81 PDE5A (0.41) KDM4EALDH1A1MAPTAPAF1LMNA
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