SCHEMBL28689986

SCHEMBL28689986

COc1cc([N+](=O)[O-])c(NC(C)=O)cc1Br.COc1ccc(N)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABCB1 P08183 2/20 0.42
ABCC1 P33527 1/20 0.42
THRB P10828 1/20 0.41
HTT P42858 3/20 0.41
EGFR P00533 1/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4346832 0.89 MAPT (0.49) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL29447084 0.89 MAPT (0.49) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL1511509 0.84 MAPT (0.49) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL9396485 0.79 MAPT (0.52) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL28664013 0.77 MAPT (0.51) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL11692881 0.76 MAPT (0.48) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL5163517 0.76 MAPT (0.64) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL6437317 0.76 NPSR1 (0.52) MAPTKMT2APOLBALDH1A1LMNA
SCHEMBL7653533 0.76 MAPT (0.55) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL22323978 0.76 MAPT (0.53) MAPTKMT2AMEN1POLBALDH1A1

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
CN-114126613-A Methods and compositions for modulating splicing 斯基霍克疗法公司 2022-03-01 CN disclosed