SCHEMBL9752405

SCHEMBL9752405

O=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1SS)C2=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 2/20 0.58
RECQL P46063 1/20 0.58
APEX1 P27695 1/20 0.58
HPGD P15428 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 5/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.52
GFER P55789 1/20 0.52
TSHR P16473 2/20 0.51
ENPP2 Q13822 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 1/20 0.47
ALPL P05186 1/20 0.47
PTGER4 P35408 1/20 0.47

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
SCHEMBL9752402 0.89 ALDH1A1 (0.68) ALDH1A1HSD17B10RECQLAPEX1HPGD
SCHEMBL4230873 0.80 APEX1 (0.86) ALDH1A1HSD17B10RECQLAPEX1HPGD
SCHEMBL8066752 0.80 ALDH1A1 (0.72) ALDH1A1HSD17B10RECQLAPEX1HPGD
SCHEMBL5008605 0.79 ALDH1A1 (0.70) ALDH1A1HSD17B10RECQLAPEX1HPGD
SCHEMBL5010574 0.79 ALDH1A1 (0.70) ALDH1A1HSD17B10RECQLAPEX1HPGD
SCHEMBL5010947 0.79 ALDH1A1 (0.70) ALDH1A1HSD17B10RECQLAPEX1HPGD
SCHEMBL14586374 0.77 ENPP2 (0.74) ALDH1A1HSD17B10RECQLAPEX1HPGD
SCHEMBL1618163 0.76 KMT2A (0.76) ALDH1A1HSD17B10RECQLPOLBKMT2A
SCHEMBL5012320 0.76 ALDH1A1 (0.77) ALDH1A1HSD17B10RECQLAPEX1HPGD
SCHEMBL4728803 0.74 ALDH1A1 (0.63) ALDH1A1HSD17B10RECQLAPEX1HPGD

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-5015704-A Reactively capped polyarylene sulfide and method and intermediates for their preparation GENERAL ELECTRIC COMPANY (US) 1991-05-14 US claimed
WO-1991000310-A1 REACTIVELY CAPPED POLYARYLENE SULFIDES AND METHOD AND INERMEDIATES FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 1991-01-10 WO claimed
US-5015704-A Reactively capped polyarylene sulfide and method and intermediates for their preparation GENERAL ELECTRIC COMPANY (US) 1991-05-14 US disclosed