SCHEMBL30210896

SCHEMBL30210896

C[C@H](C(N)=O)N(c1ccc(F)cc1)c1nc(N)c(C(=O)c2cc(C(=O)Nc3cccnc3)no2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
TP53 P04637 6/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CDK5 Q00535 4/20 0.45
CDK5R1 Q15078 4/20 0.45
HSD17B10 Q99714 3/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL23930506 1.00 TDP1 (0.49) TDP1TP53RAB9ANPC1ALDH1A1
SCHEMBL23930521 0.92 SMN1; SMN2 (0.39) TDP1TP53RAB9ANPC1ALDH1A1
SCHEMBL30210905 0.92 SMN1; SMN2 (0.39) TDP1TP53RAB9ANPC1ALDH1A1
SCHEMBL30210824 0.91 SMN1; SMN2 (0.42) TDP1TP53RAB9ANPC1ALDH1A1
SCHEMBL23930513 0.91 SMN1; SMN2 (0.42) TDP1TP53RAB9ANPC1ALDH1A1
SCHEMBL23930524 0.91 SMN1; SMN2 (0.42) TDP1TP53RAB9ANPC1ALDH1A1
SCHEMBL30210967 0.91 SMN1; SMN2 (0.42) TDP1TP53RAB9ANPC1ALDH1A1
SCHEMBL23930561 0.86 SMN1; SMN2 (0.44) TP53RAB9ANPC1PKMSMN1; SMN2
SCHEMBL30210902 0.86 SMN1; SMN2 (0.44) TP53RAB9ANPC1PKMSMN1; SMN2
SCHEMBL23930641 0.86 CDK5 (0.41) TDP1RAB9AALDH1A1SMN1; SMN2CDK5

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