SCHEMBL9539008

SCHEMBL9539008

CCC(=O)N1Cc2cn[nH]c2-c2c1ccc(OCC(=O)OC)c2Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TIPARP Q7Z3E1 3/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 3/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
CMA1 P23946 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9535441 0.82 ADORA3 (0.36) KDM4EHTTSMN1; SMN2ADORA3
SCHEMBL9537585 0.79 KMT2A (0.39) ALDH1A1L3MBTL1KDM4EPOLBGAA
SCHEMBL9538910 0.74 ALDH1A1 (0.35) ALDH1A1L3MBTL1PTGDRPTGDR2LMNA
SCHEMBL9537162 0.70 ADORA3 (0.44) ALDH1A1TIPARPLMNATSHRGAA
SCHEMBL9536514 0.69 MAPT (0.40) ALDH1A1L3MBTL1LMNAKDM4EPOLB
SCHEMBL9537661 0.69 HSP90AA1 (0.39) KDM4EHTTSMN1; SMN2MAPTADORA3
SCHEMBL9537326 0.68 PSEN1 (0.48) ALDH1A1LMNAKDM4EPOLBTSHR
SCHEMBL9538041 0.68 PSEN1 (0.44) ALDH1A1LMNAKDM4EGAASMN1; SMN2
SCHEMBL9536261 0.68 HSP90AA1 (0.45) ALDH1A1LMNAKDM4ETSHRGAA
SCHEMBL9538217 0.67 CYP11B1 (0.39) ALDH1A1LMNAKDM4EHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 EP disclosed
US-4767780-A SUBSTITUTED 1,4-DIHYDRO-(1)-BENZOPYRANO(4,3-C)PYRAZOLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 US disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 US disclosed
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed