SCHEMBL9537585

SCHEMBL9537585

CCC(=O)N1Cc2cn[nH]c2-c2cc(OCC(=O)OC)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.39
MEN1 O00255 5/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
IDE P14735 1/20 0.35
MAPK1 P28482 1/20 0.35
ADAM17 P78536 1/20 0.35
ACSS2 Q9NR19 1/20 0.35

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
SCHEMBL9536514 0.90 MAPT (0.40) KMT2AMEN1ALDH1A1KDM4EADORA3
SCHEMBL9537162 0.88 ADORA3 (0.44) KMT2AMEN1ALDH1A1ADORA3ADORA1
SCHEMBL9538041 0.81 PSEN1 (0.44) KMT2AMEN1ALDH1A1KDM4EADORA3
SCHEMBL9536261 0.80 HSP90AA1 (0.45) KMT2AMEN1ALDH1A1KDM4EADORA3
SCHEMBL9538881 0.80 ADORA3 (0.44) KMT2AMEN1ALDH1A1KDM4EADORA3
SCHEMBL9537742 0.79 PSEN1 (0.47) KMT2AMEN1ALDH1A1KDM4EADORA3
SCHEMBL9538217 0.79 CYP11B1 (0.39) KMT2AMEN1ALDH1A1KDM4EADORA3
SCHEMBL9539008 0.79 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1KDM4EADORA3
SCHEMBL9537326 0.76 PSEN1 (0.48) KMT2AALDH1A1KDM4EADORA3ADORA1
SCHEMBL9537661 0.74 HSP90AA1 (0.39) KDM4EADORA3ADORA1MAPTPSEN1

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