SCHEMBL2653231

SCHEMBL2653231

CC(NC(=O)c1ccccc1)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
CSF1R P07333 1/20 0.48
PRKACA P17612 1/20 0.48
FLT1 P17948 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK1 P28482 1/20 0.48
AKT1 P31749 1/20 0.48

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
SCHEMBL10441789 0.88 RAB9A (0.54) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL10441942 0.86 ALDH1A1 (0.60) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL10441794 0.86 NPC1 (0.60) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL10441845 0.86 RAB9A (0.52) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL9729449 0.86 MAPT (0.51) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL10441732 0.85 MEN1 (0.60) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL10441734 0.85 MAPT (0.50) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL10442014 0.84 KDM4E (0.60) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL10441725 0.84 L3MBTL1 (0.55) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL27826689 0.83 ALDH1A1 (0.52) ALDH1A1HPGDPOLBMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684070-A HFIP power assisting C (sp3) Direct methylation method of-H bond and application thereof 西南大学 2025-03-25 CN disclosed
EP-1891069-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B]PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO disclosed
EP-0348505-A1 NOVEL N-(1-THIENYLETHYL)AMINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS EFFECTIVE INGREDIENT DAIKIN INDUSTRIES, LIMITED (JP) 1990-01-03 EP disclosed
CN-1033627-A New-N-[1-(thienyl) ethyl] sulfonamide derivatives and contain the weedicide that this compound is an effective ingredient DAIKIN INUDSTRIES LTD (JP) 1989-07-05 CN disclosed