SCHEMBL9538217

SCHEMBL9538217

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
BRD4 O60885 1/20 0.38
HSD17B3 P37058 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTK2 Q05397 2/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA1 P30542 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 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
SCHEMBL9536261 0.87 HSP90AA1 (0.45) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL9538881 0.87 ADORA3 (0.44) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL9537742 0.86 PSEN1 (0.47) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL9537162 0.84 ADORA3 (0.44) HSD17B3HTTSMN1; SMN2ADORA3ADORA1
SCHEMBL9538049 0.83 MAPT (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9537326 0.83 PSEN1 (0.48) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL9538381 0.82 ROCK2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9537661 0.81 HSP90AA1 (0.39) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL9536514 0.81 MAPT (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9538041 0.80 PSEN1 (0.44) CYP11B1CYP11B2PSEN1PSEN2APH1B

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
CN-85108618-A The preparation method of benzene-fused heterocyclic compound 1986-08-27 CN disclosed