SCHEMBL31492003

SCHEMBL31492003

COc1cccc(NC(=S)N/N=C2\C(=O)Nc3ccc(Br)cc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 3/20 0.50
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
ALOX12 P18054 2/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
IDO1 P14902 1/20 0.46
AGTR1 P30556 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDR P35968 1/20 0.41
LRRK2 Q5S007 2/20 0.41
CYP2C19 P33261 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
SCHEMBL470016 0.89 KDR (0.53) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL31492111 0.89 KDR (0.50) MAPTALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL31492055 0.85 LRRK2 (0.52) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL31492086 0.83 ALDH1A1 (0.51) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL469859 0.83 CA1 (0.50) MAPTALDH1A1KDM4EIDO1AGTR1
SCHEMBL31492083 0.82 ALDH1A1 (0.54) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL469845 0.81 AGTR1 (0.57) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL469862 0.81 KDR (0.48) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL18955763 0.81 CA1 (0.55) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL31492017 0.81 MAOA (0.50) MAPTALDH1A1NPC1SMN1; SMN2RAB9A

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