SCHEMBL4038622

SCHEMBL4038622

Cc1ccc([N+](=O)[O-])c(OCCN)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 1/20 0.55
KDM4E B2RXH2 5/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
S1PR4 O95977 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 1/20 0.51
KAT2B Q92831 1/20 0.49
GAA P10253 1/20 0.48

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
Hydrochloric Acid SCHEMBL4837889 0.98 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAL3MBTL1MEN1
Hydrochloric Acid SCHEMBL514985 0.91 KAT2B (0.57) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL10619771 0.90 ALDH1A1 (0.62) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL5807817 0.86 ALDH1A1 (0.56) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL1342619 0.86 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL12629238 0.84 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL5807820 0.84 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL1585310 0.84 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL14033156 0.84 ALDH1A1 (0.72) ALDH1A1LMNAKDM4EPKMS1PR4
SCHEMBL1339942 0.84 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAL3MBTL1MEN1

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-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed