SCHEMBL22323978

SCHEMBL22323978

COc1ccc(NCC(=O)Nc2cc(Br)c(OC)cc2[N+](=O)[O-])cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 11/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
THRB P10828 1/20 0.44
GAA P10253 4/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 3/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42

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 0.77 MAPT (0.49) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL29447084 0.77 MAPT (0.49) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL16537127 0.77 LMNA (0.44) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL28689986 0.76 MAPT (0.49) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL16896913 0.73 LMNA (0.58) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL1511509 0.72 MAPT (0.49) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL29751370 0.71 MAPT (0.45) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL26654486 0.71 MAPT (0.45) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL31621042 0.70 ALDH1A1 (0.51) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL14110955 0.69 ALDH1A1 (0.61) MAPTMEN1KMT2APOLBALDH1A1

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 3 patents. 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
EP-3920926-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING Skyhawk Therapeutics, Inc. (US) 2021-12-15 EP disclosed
WO-2020163541-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2020-08-13 WO disclosed