SCHEMBL9717336

SCHEMBL9717336

CCCCCCCCC#CCCCCCCCCOCCCCCCCCC#CCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
THRB P10828 1/20 0.54
PTPN7 P35236 5/20 0.48
HMGCR P04035 2/20 0.48
CES2 O00748 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
RECQL P46063 2/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 2/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28225664 0.97 MEN1 (0.50) MEN1HTTKMT2AMAPTTHRB
SCHEMBL29073161 0.91 HTT (0.50) MEN1HTTKMT2AMAPTTHRB
SCHEMBL11855477 0.89 MEN1 (0.73) MEN1HTTKMT2AMAPTTHRB
SCHEMBL13295618 0.89 MEN1 (0.61) MEN1HTTKMT2AMAPTTHRB
SCHEMBL29073225 0.89 PTPN7 (0.44) MEN1HTTKMT2AMAPTTHRB
SCHEMBL23040316 0.84 PTPN7 (0.61) MEN1KMT2AMAPTTHRBPTPN7
SCHEMBL22268781 0.84 THRB (0.70) MEN1HTTKMT2AMAPTTHRB
SCHEMBL21044640 0.84 THRB (0.70) MEN1HTTKMT2AMAPTTHRB
SCHEMBL21044719 0.84 THRB (0.70) MEN1HTTKMT2AMAPTTHRB
SCHEMBL21044729 0.84 THRB (0.70) MEN1HTTKMT2AMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093536-A Preparation of functionalized alkynes having internal triple bonds KENKEL RESEARCH CORPORATION (US) 1992-03-03 US disclosed