SCHEMBL11277333

SCHEMBL11277333

CNC(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 4/20 0.63
GAA P10253 2/20 0.63
EPHX1 P07099 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
NOX1 Q9Y5S8 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HPGD P15428 1/20 0.60
CNR1 P21554 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.54

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
SCHEMBL11833343 0.89 HPGD (0.64) MAPTKDM4EALDH1A1GAAEPHX1
SCHEMBL8956455 0.86 MAPT (0.75) MAPTKDM4EALDH1A1GAAEPHX1
SCHEMBL5445907 0.86 MAPT (0.75) MAPTKDM4EALDH1A1GAAEPHX1
SCHEMBL6811504 0.81 RAB9A (0.68) MAPTKDM4EALDH1A1GAAEPHX1
SCHEMBL11074089 0.81 HTT (0.66) MAPTKDM4EALDH1A1GAAEPHX1
Thiourea SCHEMBL1991944 0.80 MAPT (0.73) MAPTKDM4EALDH1A1GAAEPHX1
SCHEMBL2590098 0.80 CYP1A2 (0.64) MAPTALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL5078028 0.80 ALDH1A1 (0.74) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL11550071 0.80 MAPT (0.67) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13693551 0.80 MAPT (0.62) MAPTKDM4EALDH1A1GAASMN1; SMN2

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-20230320941-A1 DENTAL COMPOSITION, KIT AND METHOD FOR USE AS ALTERNATIVE RESTORATIVE MATERIAL TO DENTAL AMALGAM SDI LIMITED (AU) 2023-10-12 US disclosed
CN-116600766-A Dental composition, kit and method for use as restorative material for replacement of dental amalgam SDI有限公司 2023-08-15 CN disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
US-4346088-A ANTILIPEMICS HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-24 US disclosed
US-4225510-A CHLORINATION OF (DIMETHYLAMINO) ACETONITRILE BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4216332-A FROM N,N-DIMETHYLAMINO ACETONITRILE AND CHLORINE GAS BAYER AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed
US-4176133-A Process for isolating N,N-dimethylaminoacetonitrile from water mixtures BAYER AKTIENGESELLSCHAFT (DE) 1979-11-27 US disclosed
US-3991008-A METHACRYLATE MONOMER, HYDROPEROXIDE OXIDIZER, THIOUREA REDUCING AGENT THE KENDALL COMPANY (US) 1976-11-09 US disclosed