SCHEMBL30211003

SCHEMBL30211003

CCOC(=O)c1cc(C(=O)c2sc(N(c3ccc(F)cc3)[C@H](C)C(N)=O)nc2N)on1.C[C@H](C(N)=O)N(c1ccc(F)cc1)c1nc(N)c(C(=O)c2cc(C(=O)O)no2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
KDM4E B2RXH2 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
DHODH Q02127 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 1/20 0.34
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 3/20 0.33

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
SCHEMBL25544936 0.97 MAPT (0.39) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30210926 0.97 MAPT (0.39) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL31633436 0.92 CCNA2 (0.37) MAPTNPC1SMN1; SMN2LMNATP53
SCHEMBL23930595 0.92 CCNA2 (0.37) MAPTNPC1SMN1; SMN2LMNATP53
SCHEMBL30210843 0.91 KDM4E (0.47) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL23930498 0.84 MAPT (0.38) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30210848 0.84 MAPT (0.38) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30437290 0.82 MAPT (0.37) MAPTNPC1SMN1; SMN2LMNATP53
SCHEMBL23930496 0.82 MAPT (0.37) MAPTNPC1SMN1; SMN2LMNATP53
SCHEMBL30266932 0.82 CCNA2 (0.43) MAPTKDM4ENPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139287-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2023-03-01 EP disclosed