SCHEMBL9538381

SCHEMBL9538381

CCC(=O)N1Cc2cn[nH]c2-c2cc(NC(C)=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
RAD52 P43351 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 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
SCHEMBL9537742 0.84 PSEN1 (0.47) HSP90AA1L3MBTL1ALDH1A1KDM4EPSEN1
SCHEMBL9538881 0.83 ADORA3 (0.44) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL9536261 0.83 HSP90AA1 (0.45) HSP90AA1ALDH1A1KDM4ENPSR1PSEN1
SCHEMBL9538217 0.82 CYP11B1 (0.39) HSP90AA1ALDH1A1KDM4EHPGDPSEN1
SCHEMBL9537162 0.81 ADORA3 (0.44) HSP90AA1ALDH1A1RECQLNPSR1MEN1
SCHEMBL9537326 0.79 PSEN1 (0.48) ROCK1POLBALDH1A1KDM4EHPGD
SCHEMBL9537585 0.78 KMT2A (0.39) POLBL3MBTL1ALDH1A1KDM4EPSEN1
SCHEMBL9537661 0.78 HSP90AA1 (0.39) HSP90AA1HSP90AB1KDM4EPSEN1PSEN2
SCHEMBL9536514 0.77 MAPT (0.40) POLBL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL9538041 0.76 PSEN1 (0.44) HSP90AA1ALDH1A1KDM4ENPSR1PSEN1

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