SCHEMBL9726540

SCHEMBL9726540

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
APAF1 O14727 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PDE9A O76083 2/20 0.39
LIPG Q9Y5X9 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 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
SCHEMBL9726397 0.89 KDM4E (0.45) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10599611 0.88 BPTF (0.47) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726693 0.86 KDM4E (0.45) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726437 0.82 BPTF (0.50) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726516 0.82 PDE9A (0.56) KDM4EPDE9A
SCHEMBL9726477 0.82 PDE9A (0.48) MAPTSMN1; SMN2APAF1L3MBTL1PDE9A
SCHEMBL9726861 0.81 POLB (0.41) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726652 0.80 THRB (0.39) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726609 0.80 BPTF (0.46) LMNATSHRKMT2AMEN1POLB
SCHEMBL9726598 0.80 BPTF (0.52) 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