SCHEMBL9110688

SCHEMBL9110688

COC(=O)CNc1ccccc1-c1ncccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 5/20 0.42
KDM4E B2RXH2 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4837897 0.81 KMT2A (0.55) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL16563162 0.79 LMNA (0.73) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL17847051 0.75 POLB (0.53) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2711475 0.73 ALDH1A1 (0.58) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15557817 0.71 ALDH1A1 (0.49) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL23152264 0.71 HTT (0.53) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15709862 0.71 LMNA (0.61) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL31403253 0.71 TDP1 (0.49) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL12646511 0.71 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL28653273 0.70 ALDH1A1 (0.59) LMNAKMT2AMEN1L3MBTL1ALDH1A1

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-5424311-A A viricides for treating viral diseases; HIV enzyme inhibitor HOESCHST AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed