SCHEMBL10340283

SCHEMBL10340283

CC(CCCCCC(=O)ON1C(=O)C=CC1=O)SSc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC1 Q13547 6/20 0.34
HDAC2 Q92769 6/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL22203070 0.92 LMNA (0.40) LMNASMN1; SMN2HPGDHSD17B10NPC1
SCHEMBL10340552 0.89 LMNA (0.34) LMNASMN1; SMN2HPGDHSD17B10HDAC1
SCHEMBL10340513 0.82 HDAC1 (0.42) LMNAHDAC1HDAC2ALDH1A1KMT2A
SCHEMBL10340185 0.82 ALDH1A1 (0.40) LMNASMN1; SMN2HPGDHDAC1HDAC2
SCHEMBL10340287 0.81 HDAC1 (0.41) LMNASMN1; SMN2HDAC1HDAC2NPC1
SCHEMBL109627 0.80 LMNA (0.37) LMNASMN1; SMN2HPGDHSD17B10NPC1
SCHEMBL29398201 0.80 LMNA (0.37) LMNASMN1; SMN2HPGDHSD17B10NPC1
SCHEMBL20384698 0.80 LMNA (0.37) LMNASMN1; SMN2HPGDHSD17B10NPC1
Hydrochloric Acid SCHEMBL30767122 0.79 LMNA (0.36) LMNASMN1; SMN2HPGDHSD17B10NPC1
SCHEMBL10340340 0.78 LMNA (0.46) LMNASMN1; SMN2HPGDHSD17B10HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196007-B1 DESMOSINE DERIVATIVES AND REAGENT FOR PREPARING ARTIFICIAL ANTIGENS JAPAN TOBACCO INC. (JP) 1990-01-10 EP disclosed
US-4841055-A Desmosine derivatives and reagent for preparing artificial antigens JAPAN TOBACCO INC. (JP) 1989-06-20 US disclosed
US-4723012-A Desmosine derivatives having a disulfide bond and preparation of artificial antigen using the same JAPAN TOBACCO INC. (JP) 1988-02-02 US disclosed
EP-0196007-A2 Desmosine derivatives and reagent for preparing artificial antigens JAPAN TOBACCO INC. (JP) 1986-10-01 EP disclosed