SCHEMBL8112501

SCHEMBL8112501

COc1ccc(CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCCN)C(=O)NC(N)=N[N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ SCN5A Q14524 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ALOX5 P09917 2/20 0.35
▸ BLM P54132 1/20 0.35
▸ EPOR P19235 1/20 0.35
▸ CTSD P07339 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ EPHX1 P07099 1/20 0.34

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
SCHEMBL8111576 0.95 ALDH1A1 (0.39) KMT2AALDH1A1SCN5ASCN2ACNR1
SCHEMBL8114831 0.92 EPOR (0.39) KMT2AALDH1A1CNR1CNR2BLM
SCHEMBL8119518 0.92 EPOR (0.37) EPORCTSDTDP1
SCHEMBL8126911 0.90 NPY1R (0.39) —
SCHEMBL8120799 0.85 EPOR (0.42) KMT2AALDH1A1EPORCTSDKDM4E
SCHEMBL8125364 0.85 KMT2A (0.42) KMT2AALDH1A1SCN5ASCN2ABLM
SCHEMBL8120680 0.85 CNR1 (0.36) CNR1CNR2
SCHEMBL8127365 0.84 LMNA (0.41) KMT2AALDH1A1CTSDSMN1; SMN2MEN1
SCHEMBL8526325 0.83 MAPT (0.35) KMT2AALDH1A1EPORCTSDTDP1
SCHEMBL8125877 0.82 MEN1 (0.46) KMT2AALDH1A1BLMCTSDKDM4E

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
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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