SCHEMBL8799462

SCHEMBL8799462

CCOC(=O)CNS(=O)(=O)c1oc2c(F)cccc2c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 3/20 0.45
PKM P14618 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NLRP3 Q96P20 1/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.36
ELANE P08246 1/20 0.36
GAA P10253 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
SCHEMBL8799776 0.84 MMP1 (0.40) KMT2APOLBAPEX1GAA
SCHEMBL8800028 0.76 L3MBTL1 (0.42) ALDH1A1KDM4EPKML3MBTL1MEN1
SCHEMBL8799464 0.70 ALDH1A1 (0.47) ALDH1A1KDM4EPKML3MBTL1HPGD
SCHEMBL8799576 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EPKML3MBTL1HPGD
SCHEMBL8799000 0.69 CA12 (0.35) RAB9A
SCHEMBL10420166 0.68 ALDH1A1 (0.57) ALDH1A1KDM4EPKML3MBTL1MEN1
SCHEMBL6506619 0.67 ALDH1A1 (0.64) ALDH1A1KDM4EPKML3MBTL1MEN1
SCHEMBL7261912 0.67 ALDH1A1 (0.64) ALDH1A1KDM4EPKML3MBTL1KMT2A
SCHEMBL27463180 0.64 ALDH1A1 (0.56) ALDH1A1KDM4EPKML3MBTL1MEN1
SCHEMBL7492632 0.64 MEN1 (0.57) ALDH1A1MEN1KMT2APOLBCYP3A4

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
EP-0355827-B1 Hydantoin derivatives MOCHIDA PHARM CO LTD (JP) 1997-01-02 EP disclosed
US-RE35279-E ALDOSE REDUCTASE INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
US-5202339-A Hypoglycemic, hypolipedemic agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed
US-5004751-A Antidiabetic agents; aldoe reductase inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-04-02 US disclosed
WO-1990002126-A1 HYDANTOIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-03-08 WO disclosed
EP-0355827-A2 Hydantoin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed