SCHEMBL8975238

SCHEMBL8975238

CC(=O)C(C)(C)NCCCNC(C)(C)C(=O)CCC(C)CCNCCOCC(O)Cn1ccnc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
CYP2C19 P33261 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
SCHEMBL6131616 0.84 KMT2A (0.47) KMT2ALMNATHRBCYP2C19
SCHEMBL8741548 0.77 KMT2A (0.47) KMT2ALMNATHRBCYP2C19
SCHEMBL5314455 0.76 KMT2A (0.44) KMT2ALMNATHRBCYP2C19
SCHEMBL6131605 0.75 CA12 (0.46) KMT2ALMNATHRBCYP2C19
SCHEMBL6131614 0.73 LMNA (0.52) KMT2ALMNATHRBCYP2C19
SCHEMBL6131660 0.72 CA12 (0.48) KMT2ALMNATHRBCYP2C19
SCHEMBL8719474 0.71 KMT2A (0.44) KMT2ALMNATHRBCYP2C19
SCHEMBL8478713 0.70 LMNA (0.51) KMT2ALMNATHRBCYP2C19
SCHEMBL6131569 0.70 LMNA (0.55) KMT2ALMNATHRBCYP2C19
SCHEMBL6131546 0.70 KMT2A (0.45) KMT2ALMNATHRBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506345-A ANTIHYPOXIC AGENTS AMERSHAM INTERNATIONAL PLC (GB) 1996-04-09 US claimed
US-5387692-A A bisamine oxime compound containing a 2-nitroimidazole group AMERSHAM INTERNATIONAL PLC (GB) 1995-02-07 US claimed
US-5506345-A ANTIHYPOXIC AGENTS AMERSHAM INTERNATIONAL PLC (GB) 1996-04-09 US disclosed
US-5387692-A A bisamine oxime compound containing a 2-nitroimidazole group AMERSHAM INTERNATIONAL PLC (GB) 1995-02-07 US disclosed