SCHEMBL8414366

SCHEMBL8414366

c1ccc(C(c2cccnc2)c2cn[nH]c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.70
SLC6A4 P31645 2/20 0.70
SLC6A3 Q01959 2/20 0.70
CFTR P13569 2/20 0.70
GOPC Q9HD26 2/20 0.70
CYP19A1 P11511 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNA5 P22460 4/20 0.41
KCNN4 O15554 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
AKT2 P31751 2/20 0.39
AKT1 P31749 1/20 0.39
KCNH2 Q12809 1/20 0.39
GAA P10253 1/20 0.37

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
SCHEMBL2375241 0.88 AKT2 (0.48) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL6476580 0.84 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CFTRGOPC
Ammonia Solution, Strong SCHEMBL6000375 0.82 SLC6A2 (0.95) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL13089180 0.71 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL3070057 0.70 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL6532251 0.69 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4EAKT2AKT1
SCHEMBL16156937 0.69 AKT2 (0.45) KMT2AAKT2AKT1KCNH2
SCHEMBL7999525 0.69 AKT2 (0.50) ALDH1A1KDM4EAKT2AKT1
SCHEMBL17875272 0.69 AKT2 (0.47) AKT2AKT1
SCHEMBL10674497 0.69 CYP19A1 (1.00) SLC6A2SLC6A4SLC6A3CFTRGOPC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
US-5389666-A Administering for treatment and prevention of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer or hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed