SCHEMBL31491997

SCHEMBL31491997

O=C1Nc2ccc(OC(F)(F)F)cc2/C1=N/NC(=S)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.57
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CES1 P23141 1/20 0.49
MAP3K7 O43318 1/20 0.42
TAB1 Q15750 1/20 0.42
MAPT P10636 3/20 0.42
PLA2G1B P04054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ABL1 P00519 4/20 0.41
HSPA9 P38646 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RET P07949 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL23764672 1.00 LRRK2 (0.57) LRRK2CA1CA2CES1MAP3K7
SCHEMBL30082282 1.00 LRRK2 (0.57) LRRK2CA1CA2CES1MAP3K7
SCHEMBL469844 0.90 KDR (0.50) LRRK2CA1CA2CES1MAP3K7
SCHEMBL31492060 0.90 LRRK2 (0.49) LRRK2CA1CA2CES1MAP3K7
SCHEMBL469804 0.90 CES1 (0.50) LRRK2CA1CA2CES1MAP3K7
SCHEMBL18955405 0.86 CA1 (0.64) LRRK2CA1CA2CES1ABL1
SCHEMBL31492045 0.83 LRRK2 (0.52) LRRK2CA1CA2MAPTKDR
SCHEMBL18974994 0.83 LRRK2 (0.52) LRRK2CA1CA2MAPTKDR
SCHEMBL31492034 0.81 MAPT (0.50) LRRK2CA1CA2MAPTSMN1; SMN2
SCHEMBL31492055 0.81 LRRK2 (0.52) LRRK2CA1CA2CES1MAPT

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