SCHEMBL11569355

SCHEMBL11569355

C=CCn1c(S)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
KDM4E B2RXH2 4/20 0.57
PKM P14618 2/20 0.57
POLB P06746 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HTR3A P46098 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
SCHEMBL11350545 0.80 CYP1A2 (0.44) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL14557079 0.80 CXCR4 (0.52) LMNAPKMPOLBMAPTSMN1; SMN2
SCHEMBL16717737 0.79 PKM (0.61) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL2879788 0.79 KDM4E (0.66) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL1604271 0.79 LMNA (0.60) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL1668107 0.79 KDM4E (0.64) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL4077904 0.79 LMNA (0.60) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL10415288 0.79 LMNA (0.60) LMNAKDM4EPKMPOLBNPSR1
Ethane SCHEMBL2146950 0.78 LMNA (0.63) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL2163308 0.78 PKM (0.68) LMNAKDM4EPKMPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4141844-A TETRAESTER OF PENTAERYTHRITOL, ARYLAMINES, PHOSPHATE ESTERS AND S-ARYL-2-MERCAPTOBENZIMIDAZOLE, OXIDATION RESISTANCE TEXACO INC. (US) 1979-02-27 US claimed
US-4141844-A TETRAESTER OF PENTAERYTHRITOL, ARYLAMINES, PHOSPHATE ESTERS AND S-ARYL-2-MERCAPTOBENZIMIDAZOLE, OXIDATION RESISTANCE TEXACO INC. (US) 1979-02-27 US disclosed
US-4141844-A TETRAESTER OF PENTAERYTHRITOL, ARYLAMINES, PHOSPHATE ESTERS AND S-ARYL-2-MERCAPTOBENZIMIDAZOLE, OXIDATION RESISTANCE TEXACO INC. (US) 1979-02-27 US disclosed