SCHEMBL9535441

SCHEMBL9535441

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.36
HSD17B3 P37058 1/20 0.35
ADORA1 P30542 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33
APH1B Q8WW43 4/20 0.33
NCSTN Q92542 4/20 0.33
APH1A Q96BI3 4/20 0.33
PSENEN Q9NZ42 4/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
P2RX7 Q99572 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
NOTUM Q6P988 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9539008 0.82 ALDH1A1 (0.35) ADORA3KDM4EHTTSMN1; SMN2
SCHEMBL9537742 0.79 PSEN1 (0.47) ADORA3HSD17B3KDM4EHTTSMN1; SMN2
SCHEMBL9537661 0.79 HSP90AA1 (0.39) ADORA3HSD17B3ADORA1KDM4EHTT
SCHEMBL9537326 0.76 PSEN1 (0.48) ADORA3ADORA1KDM4EHTTSMN1; SMN2
SCHEMBL9538881 0.75 ADORA3 (0.44) ADORA3HSD17B3ADORA1KDM4EHTT
SCHEMBL9536261 0.75 HSP90AA1 (0.45) ADORA3HSD17B3ADORA1KDM4EHTT
SCHEMBL9538163 0.74 MAPT (0.38) ADORA3KDM4EHTTSMN1; SMN2PSEN1
SCHEMBL9538041 0.73 PSEN1 (0.44) ADORA3ADORA1KDM4ESMN1; SMN2PSEN1
SCHEMBL9538381 0.71 ROCK2 (0.44) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL9536514 0.70 MAPT (0.40) ADORA3ADORA1KDM4EHTTPSEN1

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