SCHEMBL5307336

SCHEMBL5307336

O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1ccc(O)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPA1 O60313 1/20 0.66
EIF5B O60841 1/20 0.66
MET P08581 1/20 0.66
HMOX2 P30519 1/20 0.66
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MTNR1A P48039 7/20 0.39
MTNR1B P49286 7/20 0.39
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1395827 1.00 OPA1 (0.66) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395828 0.90 OPA1 (0.73) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL3773941 0.89 OPA1 (0.64) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395825 0.89 OPA1 (0.64) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395821 0.89 OPA1 (0.66) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395726 0.89 OPA1 (0.66) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1720158 0.89 OPA1 (0.66) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL15872111 0.86 OPA1 (0.63) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395775 0.86 OPA1 (0.63) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395847 0.85 OPA1 (0.61) OPA1EIF5BMETHMOX2HTR2A

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-1846406-A1 MALEIMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ArQule, Inc. (US) 2007-10-24 EP disclosed
WO-2006086484-A1 MELEIMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2006-08-17 WO disclosed