SCHEMBL10659364

SCHEMBL10659364

O=C(O)CNc1ccccc1C(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 1/20 0.51
▸ BDKRB1 P46663 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ AGTR1 P30556 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TBXAS1 P24557 13/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ APP P05067 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HCAR3 P49019 1/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL698881 0.85 AGTR1 (0.60) BDKRB1KDM4EAGTR1RAB9AALDH1A1
SCHEMBL8241253 0.77 BDKRB1 (0.54) PLOD2BDKRB1KDM4EALDH1A1TP53
SCHEMBL9716675 0.77 LIG1 (0.53) KDM4EAGTR1RAB9AALDH1A1GAA
SCHEMBL10251859 0.76 BDKRB1 (0.75) BDKRB1KDM4EALDH1A1GAA
SCHEMBL7289960 0.76 AKR1C3 (0.66) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL10660692 0.75 AGTR1 (0.59) BDKRB1KDM4EAGTR1RAB9AALDH1A1
SCHEMBL6174044 0.75 AGTR1 (0.59) BDKRB1KDM4EAGTR1RAB9AALDH1A1
SCHEMBL8923851 0.75 AKR1C3 (0.57) KDM4EAGTR1RAB9ATHRBALDH1A1
SCHEMBL9716698 0.75 AGTR1 (0.49) KDM4EAGTR1RAB9AALDH1A1GAA
SCHEMBL16474313 0.75 KMT2A (0.71) BDKRB1KDM4EALDH1A1TP53

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-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 — — US disclosed
Send feedback