SCHEMBL31492015

SCHEMBL31492015

Cc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(F)cc1)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
LRRK2 Q5S007 1/20 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
SCHEMBL13008032 0.93 KDR (0.50) KDRKMT2ACA1CA2CA12
SCHEMBL13008097 0.91 KDR (0.54) KDRKMT2ACA1CA2CA12
SCHEMBL31492034 0.89 MAPT (0.50) KDRKMT2ACA1CA2CA12
SCHEMBL469862 0.87 KDR (0.48) KDRKMT2ACA1CA2CA12
SCHEMBL31492062 0.86 KDR (0.48) KDRKMT2ACA1CA2CA12
SCHEMBL31492040 0.86 KDR (0.46) KDRCA1CA2CA12CA9
SCHEMBL31492121 0.85 GAA (0.48) KDRKMT2ACA1CA2CA12
SCHEMBL13061438 0.85 KDR (0.51) KDRCA1CA2CA12CA9
SCHEMBL469845 0.84 AGTR1 (0.57) KDRKMT2ACA1CA2CA12
SCHEMBL31492064 0.84 KDR (0.50) KDRKMT2ACA1CA2CA12

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