SCHEMBL31491968

SCHEMBL31491968

COc1ccccc1NC(=S)N/N=C1\C(=O)Nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MAPT P10636 8/20 0.46
GAA P10253 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
RRM1 P23921 1/20 0.46
RRM2 P31350 1/20 0.46
RAB9A P51151 1/20 0.46
RRM2B Q7LG56 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.45
MAPK1 P28482 2/20 0.45
ALOX12 P18054 2/20 0.44
TTR P02766 1/20 0.44
LRRK2 Q5S007 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL470025 0.88 GAA (0.49) KMT2AMAPTGAASMN1; SMN2LMNA
SCHEMBL31491974 0.88 ALDH1A1 (0.53) KMT2AMAPTGAASMN1; SMN2LMNA
SCHEMBL455106 0.84 KMT2A (0.47) KMT2AMAPTGAASMN1; SMN2LMNA
SCHEMBL31492089 0.84 TGM2 (0.46) KMT2AMAPTGAASMN1; SMN2LMNA
SCHEMBL14075826 0.82 MAPT (0.56) KMT2AMAPTGAASMN1; SMN2MEN1
SCHEMBL470031 0.82 MAPT (0.56) KMT2AMAPTGAASMN1; SMN2MEN1
SCHEMBL13560840 0.80 ALDH1A1 (0.53) KMT2AMAPTGAASMN1; SMN2LMNA
SCHEMBL469854 0.79 KDR (0.56) KMT2AMAPTGAAMEN1NPC1
SCHEMBL10084818 0.79 KMT2A (0.53) KMT2AMAPTGAALMNAMEN1
SCHEMBL18938331 0.79 CA1 (0.54) KMT2AMAPTALDH1A1LRRK2

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