SCHEMBL26977404

SCHEMBL26977404

COCCC(C(=O)OC)(C(=O)OC(C)(C)C)c1ccnc(N(CCc2ccc(OC)cc2)[SH](=O)=O)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NR3C2 P08235 1/20 0.33
BMP1 P13497 2/20 0.32
KARS1 Q15046 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CASP6 P55212 1/20 0.31
F2RL1 P55085 1/20 0.31
ALPL P05186 1/20 0.31
GAA P10253 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL21392150 0.82 RAB9A (0.32) ARKMT2ARAB9AALDH1A1KDM4E
SCHEMBL30415860 0.81 PTPN1 (0.36) ALDH1A1
SCHEMBL21392152 0.81 PTPN1 (0.36) ALDH1A1
SCHEMBL28477374 0.79 CASP6 (0.41) ARKMT2AMEN1NR3C2RAB9A
SCHEMBL21373801 0.74 AAK1 (0.36)
SCHEMBL26977288 0.70 CTPS1 (0.64)
SCHEMBL21392311 0.70 CTPS1 (0.47) ARKMT2AMEN1ALDH1A1
SCHEMBL21392320 0.67 USP2 (0.35) ARKMT2AMEN1NR3C2RAB9A
SCHEMBL21384620 0.67 PTPN1 (0.39) ALDH1A1
SCHEMBL30725707 0.67 PTPN1 (0.39) ALDH1A1

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-3768674-B1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2024-01-03 EP disclosed