SCHEMBL31491998

SCHEMBL31491998

COc1ccc2c(c1)NC(=O)/C2=N\NC(=S)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KMT2A Q03164 7/20 0.47
MAPT P10636 7/20 0.46
MEN1 O00255 6/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
TRPV1 Q8NER1 1/20 0.43
MDM2 Q00987 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
CACNA1B Q00975 1/20 0.41

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
SCHEMBL31492042 0.86 KMT2A (0.54) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL31492026 0.86 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL31492004 0.86 KMT2A (0.56) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL31492056 0.83 MAPT (0.53) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL469971 0.82 CA12 (0.49) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL31492030 0.82 KMT2A (0.52) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL31492083 0.80 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL31491956 0.80 KMT2A (0.47) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL31492017 0.80 MAOA (0.50) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL31492114 0.77 MEN1 (0.45) ALDH1A1KMT2AMAPTMEN1LMNA

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