SCHEMBL31078481

SCHEMBL31078481

CCOC(=O)c1sc(C)nc1OC1CCC(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
ALDH1A1 P00352 7/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.41
HSD11B1 P28845 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HPGD P15428 5/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 4/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38

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
SCHEMBL23587190 0.87 ROCK2 (0.50) ROCK2ALDH1A1TSHRHSD17B10GAA
SCHEMBL23382867 0.86 ROCK2 (0.49) ROCK2ALDH1A1TSHRHSD17B10GAA
SCHEMBL31078524 0.86 ROCK2 (0.49) ROCK2ALDH1A1TSHRHSD17B10GAA
SCHEMBL31078911 0.84 HSD11B1 (0.42) ROCK2ALDH1A1TSHRHSD17B10GAA
SCHEMBL31078680 0.84 ROCK2 (0.48) ROCK2ALDH1A1TSHRHSD17B10GAA
SCHEMBL31078462 0.83 HSD11B1 (0.42) ROCK2ALDH1A1TSHRHSD17B10GAA
SCHEMBL31078544 0.77 ROCK2 (0.54) ROCK2ALDH1A1TSHRHSD17B10GAA
SCHEMBL31078568 0.76 ROCK2 (0.48) ROCK2ALDH1A1TSHRHSD17B10GAA
SCHEMBL31078503 0.76 ROCK2 (0.46) ROCK2ALDH1A1TSHRHSD17B10GAA
SCHEMBL23732635 0.74 ALDH1A1 (0.55) ROCK2ALDH1A1TSHRHSD17B10GAA

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