SCHEMBL10573154

SCHEMBL10573154

CC1CC(=O)N(Cc2ccccc2)C(=O)S1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.55
GSK3A P49840 3/20 0.55
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
STAT6 P42226 1/20 0.49
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MT-CO2 P00403 1/20 0.47
ALOX5 P09917 1/20 0.47
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46

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
SCHEMBL10571865 0.85 GAA (0.52) GSK3BGSK3AKMT2AALDH1A1MEN1
SCHEMBL8487839 0.76 KMT2A (0.62) KMT2AALDH1A1MEN1GAACYP1A2
SCHEMBL13898851 0.76 KMT2A (0.62) KMT2AALDH1A1MEN1GAACYP1A2
SCHEMBL14275843 0.71 ALDH1A1 (0.55) GSK3BGSK3AKMT2AALDH1A1MEN1
SCHEMBL338442 0.71 GSK3A (1.00) GSK3BGSK3AKMT2AALDH1A1MEN1
SCHEMBL28469209 0.71 KMT2A (0.64) KMT2AALDH1A1MEN1GAACYP1A2
SCHEMBL22247509 0.70 KMT2A (0.63) GSK3BGSK3AKMT2AALDH1A1MEN1
SCHEMBL5179725 0.69 ALDH1A1 (0.60) KMT2AALDH1A1MEN1GAACYP1A2
SCHEMBL10574135 0.69 GSK3A (0.70) GSK3BGSK3AKMT2AALDH1A1MEN1
SCHEMBL22426223 0.69 ALDH1A1 (0.60) KMT2AALDH1A1MEN1GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4746738-A SKIN THICKENERS WELLA AKTIENGESELLSCHAFT (DE) 1988-05-24 US claimed
EP-0116318-B1 TETRAHYDRO-1,3-THIAZINE-2,4-DIONES, THEIR USE AND AGENTS CONTAINING THESE COMPOUNDS FOR THE TREATMENT OF THE SKIN Wella Aktiengesellschaft (DE) 1988-03-02 EP claimed
EP-0116318-A1 Tetrahydro-1,3-thiazine-2,4-diones, their use and agents containing these compounds for the treatment of the skin Wella Aktiengesellschaft (DE) 1984-08-22 EP claimed
WO-1984003041-A1 TETRAHYDRO-1,3-THIAZIN-2,4-DIONE, UTILIZATION THEREOF AND SKIN TREATING AGENTS CONTAINING SAID COMPOUND WELLA AG (DE) 1984-08-16 WO claimed
US-4883652-A THICKEN EPIDERMIS, PROTECTIVE COATING, ANTIAGING WELLA AKTIENGESELLSCHAFT (DE) 1989-11-28 US disclosed
US-4746738-A SKIN THICKENERS WELLA AKTIENGESELLSCHAFT (DE) 1988-05-24 US disclosed
EP-0116318-B1 TETRAHYDRO-1,3-THIAZINE-2,4-DIONES, THEIR USE AND AGENTS CONTAINING THESE COMPOUNDS FOR THE TREATMENT OF THE SKIN Wella Aktiengesellschaft (DE) 1988-03-02 EP disclosed
EP-0116318-A1 Tetrahydro-1,3-thiazine-2,4-diones, their use and agents containing these compounds for the treatment of the skin Wella Aktiengesellschaft (DE) 1984-08-22 EP disclosed