SCHEMBL31492017

SCHEMBL31492017

COc1ccc2c(c1)NC(=O)/C2=N\NC(=S)Nc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDR P35968 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40

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
SCHEMBL31492111 0.88 KDR (0.50) MAOAMAOBMAPTALDH1A1KDM4E
SCHEMBL31492114 0.87 MEN1 (0.45) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL31491991 0.87 KDR (0.44) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL31492026 0.84 ALDH1A1 (0.47) MAOBMAPTALDH1A1KDM4ETDP1
SCHEMBL14075826 0.83 MAPT (0.56) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL470031 0.83 MAPT (0.56) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL469859 0.81 CA1 (0.50) MAOAMAOBMAPTALDH1A1KDM4E
SCHEMBL31492003 0.81 MAPT (0.50) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL31492056 0.81 MAPT (0.53) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL31492027 0.81 MAPT (0.46) MAPTALDH1A1KDM4ETDP1MEN1

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