SCHEMBL30210951

SCHEMBL30210951

C[C@@H](C(N)=O)N(c1ccc(F)c(F)c1)c1nc(N)c(C(=O)c2cc(C(=O)NC3CC(F)(F)C3)no2)s1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
IDO1 P14902 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30210875 1.00 KDM1A (0.32) KDM1ASCN9ASCN10ASMYD3MEN1
SCHEMBL23930474 1.00 KDM1A (0.32) KDM1ASCN9ASCN10ASMYD3MEN1
SCHEMBL23930476 1.00 KDM1A (0.32) KDM1ASCN9ASCN10ASMYD3MEN1
SCHEMBL23930539 1.00 KDM1A (0.32) KDM1ASCN9ASCN10ASMYD3MEN1
SCHEMBL23930503 0.92 NPC1 (0.35) SCN9ASCN10ASMYD3MEN1MAPT
SCHEMBL23930607 0.92 NPC1 (0.35) SCN9ASCN10ASMYD3MEN1MAPT
SCHEMBL23930505 0.92 NPC1 (0.35) SCN9ASCN10ASMYD3MEN1MAPT
SCHEMBL23930515 0.92 NPC1 (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL23930470 0.92 NPC1 (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL25209869 0.92 NPC1 (0.39) MEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139287-B1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AG (DE) 2025-02-26 EP claimed
EP-4139287-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2023-03-01 EP claimed
EP-4139287-B1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AG (DE) 2025-02-26 EP disclosed