SCHEMBL7357331

SCHEMBL7357331

CC1CCN(C(=O)C(CCCNc2cccc[n+]2[O-])N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.36
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
USP30 Q70CQ3 1/20 0.32
GAA P10253 1/20 0.32
HSD11B1 P28845 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
SCHEMBL7336118 0.79 F2 (0.53) F2KDM4EPKMGPR119USP30
SCHEMBL7336124 0.79 F2 (0.53) F2KDM4EPKMGPR119USP30
SCHEMBL7334666 0.78 F2 (0.39) F2HPGDALDH1A1GPR119
SCHEMBL7334655 0.78 F2 (0.39) F2HPGDALDH1A1GPR119
SCHEMBL6969037 0.69 TDP1 (0.47)
SCHEMBL6962221 0.69 STK17B (0.47) GAA
SCHEMBL7336551 0.67 F2 (0.41) F2HPGD
SCHEMBL6178258 0.66 MALT1 (0.51)
SCHEMBL7327687 0.63 F2 (0.41) F2KDM4EHPGDALDH1A1
SCHEMBL25185928 0.62 ALDH1A1 (0.39) KDM4EPKMHPGDALDH1A1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US disclosed