SCHEMBL31078545

SCHEMBL31078545

COC(=O)c1cc(O)c(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.44
HPGD P15428 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 3/20 0.42
XDH P47989 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CSNK2A2 P19784 1/20 0.41

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
SCHEMBL1529854 0.83 DAO (0.43) DAOHPGDKDM4EMAPK1ALDH1A1
SCHEMBL16302070 0.81 DAO (0.69) DAOHPGDKDM4EMAPK1ALDH1A1
SCHEMBL1529851 0.79 DAO (0.43) DAOHPGDKDM4EMAPK1ALDH1A1
SCHEMBL5467194 0.79 ABL1 (0.46) DAOHPGDKDM4EMAPK1ALDH1A1
SCHEMBL577650 0.78 MAPT (0.45) HPGDKDM4EMAPK1ALDH1A1NPC1
SCHEMBL10286930 0.77 DAO (0.41) DAOHPGDKDM4EMAPK1ALDH1A1
SCHEMBL1561317 0.76 OPRD1 (0.43) HPGDKDM4EMAPK1ALDH1A1NPC1
SCHEMBL424946 0.74 USP10 (0.47) MAPK1ALDH1A1LMNAPOLBTDP1
SCHEMBL19439584 0.73 PTPN2 (0.49) HPGDKDM4EMAPK1ALDH1A1NPC1
SCHEMBL20892550 0.72 MRGPRX4 (0.43) DAOHPGDKDM4EMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed