SCHEMBL8712980

SCHEMBL8712980

CCOC(=O)c1cc(Br)c(Cl)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.53
CA2 P00918 7/20 0.53
CA12 O43570 6/20 0.53
CA9 Q16790 6/20 0.53
CA7 P43166 5/20 0.53
CA14 Q9ULX7 5/20 0.53
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
BAZ2B Q9UIF8 1/20 0.47
BAZ2A Q9UIF9 1/20 0.47
MAOB P27338 1/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL31497641 1.00 CA1 (0.53) CA1CA2CA12CA9CA7
SCHEMBL4625497 0.88 CYP4F2 (0.54) CA1CA2CA12CA9CA7
SCHEMBL5088670 0.87 CYP4F2 (0.56) CA1CA2CA12CA9CA7
SCHEMBL10656841 0.86 CA1 (0.59) CA1CA2CA12CA9CA7
SCHEMBL3608649 0.82 CYP4F2 (0.51) CA1CA2CA12CA9CA7
SCHEMBL747498 0.81 CA1 (0.49) CA1CA2CA12CA9CA7
SCHEMBL1952844 0.81 CA1 (0.57) CA1CA2CA12CA9CA7
SCHEMBL10987957 0.81 CYP4F2 (0.48) CA1CA2CA12CA9CYP4F2
SCHEMBL3994958 0.81 CYP4F2 (0.48) CA1CA2CA12CA9CYP4F2
SCHEMBL322149 0.80 CA12 (0.69) CA1CA2CA12CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462555-A Sulfonamide compound and application thereof 上海科技大学 2025-02-18 CN disclosed
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
CN-1097741-A Pyridine derivate, Preparation Method And The Use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-25 CN disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed