SCHEMBL30210871

SCHEMBL30210871

CCOC(=O)c1cc(C(=O)c2sc(Nc3ccc(F)cc3)nc2N)on1.Nc1nc(Nc2ccc(F)cc2)sc1C(=O)c1cc(C(=O)O)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 1/20 0.53
DHODH Q02127 4/20 0.52
TP53 P04637 3/20 0.52
NPC1 O15118 4/20 0.52
CCNA2 P20248 3/20 0.50
CDK2 P24941 3/20 0.50
CDK5 Q00535 3/20 0.47
CDK5R1 Q15078 3/20 0.47
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
ZAP70 P43403 1/20 0.45
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL23930542 0.96 KDM4E (0.59) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL30210844 0.91 DHODH (0.53) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL30210901 0.91 KDM4E (0.55) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL23930511 0.90 CCNA2 (0.60) LMNAMAPTMEN1KMT2APOLB
SCHEMBL31633449 0.88 DHODH (0.56) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL23930620 0.88 DHODH (0.56) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL4486366 0.87 MEN1 (0.60) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL4478262 0.86 MAPT (0.54) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL30210843 0.85 KDM4E (0.47) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL3819003 0.84 RAB9A (0.57) LMNAKDM4EALDH1A1MAPTMEN1

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