SCHEMBL31078680

SCHEMBL31078680

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
ALDH1A1 P00352 6/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSD11B1 P28845 3/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
HPGD P15428 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CDC7 O00311 2/20 0.37
DBF4 Q9UBU7 2/20 0.37
PDE5A O76074 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36

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 0.86 ROCK2 (0.50) ROCK2ALDH1A1GAATSHRHTT
SCHEMBL31078549 0.86 HSD11B1 (0.43) ROCK2ALDH1A1GAATSHRHTT
SCHEMBL31078524 0.85 ROCK2 (0.49) ROCK2ALDH1A1GAATSHRHTT
SCHEMBL23382867 0.85 ROCK2 (0.49) ROCK2ALDH1A1GAATSHRHTT
SCHEMBL31078481 0.84 ROCK2 (0.48) ROCK2ALDH1A1GAATSHRHTT
SCHEMBL31078544 0.76 ROCK2 (0.54) ROCK2ALDH1A1GAATSHRHTT
SCHEMBL31078568 0.75 ROCK2 (0.48) ROCK2ALDH1A1GAATSHRHTT
SCHEMBL31078503 0.74 ROCK2 (0.46) ROCK2ALDH1A1GAATSHRHTT
SCHEMBL23732635 0.73 ALDH1A1 (0.55) ROCK2ALDH1A1GAATSHRHTT
SCHEMBL23587225 0.73 ALDH1A1 (0.55) ROCK2ALDH1A1GAATSHRHTT

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