SCHEMBL6681698

SCHEMBL6681698

S=P(S)(S)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
HPGD P15428 3/20 0.44
CALM1 P0DP23 1/20 0.43
EPHX2 P34913 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
TP53 P04637 1/20 0.39
TRPA1 O75762 1/20 0.39
ALOX12 P18054 2/20 0.38
MAOB P27338 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
CYP2A6 P11509 1/20 0.36
HTR2A P28223 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL1486407 0.80 HPGD (0.46) IDO1HPGDCALM1EPHX2TSHR
SCHEMBL6681829 0.79 HPGD (0.46) IDO1HPGDCALM1EPHX2TSHR
SCHEMBL11510768 0.76 HPGD (0.43) IDO1HPGDCALM1EPHX2TSHR
SCHEMBL7079107 0.76 LOXL2 (0.43) IDO1HPGDCALM1EPHX2TSHR
SCHEMBL6310524 0.76 HPGD (0.48) IDO1HPGDCALM1EPHX2TSHR
SCHEMBL11303215 0.74 HPGD (0.41) IDO1HPGDCALM1EPHX2TSHR
SCHEMBL10786908 0.74 HPGD (0.41) IDO1HPGDCALM1EPHX2TSHR
SCHEMBL11466763 0.74 HTT (0.50) IDO1HPGDCALM1EPHX2TSHR
SCHEMBL6831567 0.72 IDO1 (0.46) IDO1HPGDCALM1EPHX2TSHR
SCHEMBL6830628 0.72 HPGD (0.41) IDO1HPGDCALM1TSHRALDH1A1

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
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-4282171-A Phosphorus and sulfur containing amides and thioamides THE LUBRIZOL CORPORATION (US) 1981-08-04 US disclosed
US-4208357-A Process for preparing phosphorus and sulfur containing amides and thioamides THE LUBRIZOL CORPORATION (US) 1980-06-17 US disclosed
US-4032461-A PHOSPHORUS AND SULFUR CONTAINING AMIDES AND THIOAMIDES AS LUBRICATING OIL ADDITIVES AND LUBRICATING OIL COMPOSITIONS CONTAINING SAME THE LUBRIZOL CORPORATION (US) 1977-06-28 US disclosed