SCHEMBL6172012

SCHEMBL6172012

CCCc1cccc(C(=O)O)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.44
NQO2 P16083 1/20 0.42
KDM4A O75164 1/20 0.40
CTSK P43235 3/20 0.38
DRD2 P14416 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
APLNR P35414 1/20 0.37
SYK P43405 1/20 0.37
CLCN2 P51788 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CTSS P25774 1/20 0.37
HTT P42858 1/20 0.36
CA9 Q16790 1/20 0.36
GLS O94925 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL28255694 0.90 KCNA5 (0.50) KCNA5NQO2KDM4ACTSKPOLB
SCHEMBL28210982 0.87 KDM4A (0.47) KCNA5NQO2KDM4ACTSKPOLB
SCHEMBL6095753 0.81 MEN1 (0.47) KCNA5NQO2KDM4ACTSKPOLB
SCHEMBL10476446 0.80 CLCN2 (0.41) POLBCLCN2CA12HTTCA9
SCHEMBL1808874 0.80 KCNA5 (0.56) KCNA5NQO2KDM4ACTSKATM
SCHEMBL8240426 0.80 KCNA5 (0.50) KCNA5NQO2KDM4ACTSKPOLB
SCHEMBL6290025 0.79 KCNA5 (0.50) KCNA5NQO2KDM4ACTSKPOLB
SCHEMBL1965799 0.79 KCNA5 (0.50) KCNA5NQO2KDM4ACTSKPOLB
SCHEMBL26659635 0.79 KCNA5 (0.55) KCNA5NQO2KDM4ACTSKATM
Water SCHEMBL30667520 0.76 KCNA5 (0.53) KCNA5NQO2KDM4ACTSKSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 EP disclosed
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 WO disclosed