SCHEMBL31492004

SCHEMBL31492004

O=C1Nc2ccccc2/C1=N/NC(=S)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.56
ALDH1A1 P00352 6/20 0.51
MAPT P10636 6/20 0.48
POLB P06746 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TTR P02766 1/20 0.48
LRRK2 Q5S007 1/20 0.48
THRB P10828 2/20 0.47
HPGD P15428 2/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DDX3X O00571 1/20 0.44
HTT P42858 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL469874 0.88 TTR (0.57) KMT2AALDH1A1MAPTNPC1TTR
SCHEMBL31492083 0.88 ALDH1A1 (0.54) KMT2AALDH1A1MAPTPOLBNPC1
SCHEMBL31491956 0.88 KMT2A (0.47) KMT2AALDH1A1MAPTPOLBNPC1
SCHEMBL31492042 0.88 KMT2A (0.54) KMT2AALDH1A1MAPTPOLBNPC1
SCHEMBL31492030 0.88 KMT2A (0.52) KMT2AALDH1A1MAPTPOLBNPC1
SCHEMBL469856 0.86 ALDH1A1 (0.51) KMT2AALDH1A1MAPTPOLBNPC1
SCHEMBL31491998 0.86 ALDH1A1 (0.47) KMT2AALDH1A1MAPTPOLBNPC1
SCHEMBL31492076 0.85 KMT2A (0.50) KMT2AALDH1A1MAPTPOLBNPC1
SCHEMBL31492023 0.85 KMT2A (0.48) KMT2AALDH1A1MAPTPOLBNPC1
SCHEMBL31492051 0.83 KMT2A (0.65) KMT2AALDH1A1MAPTPOLBNPC1

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
WO-2025046420-A1 COMPOUND TARGETING EGR-1 AND USE THEREOF FOR TREATMENT OF ATOPIC DERMATITIS 주식회사 아제라메디 2025-03-06 WO disclosed