SCHEMBL16264445

SCHEMBL16264445

CC1=[N+](C)c2ccc(SC#N)cc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.35
HTT P42858 2/20 0.35
RECQL P46063 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
APEX1 P27695 1/20 0.35
GFER P55789 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
VDR P11473 1/20 0.30

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
SCHEMBL24967688 0.76 MEN1 (0.37) MAPTALDH1A1MEN1LMNATHRB
SCHEMBL13103156 0.74 MEN1 (0.33) MAPTMEN1LMNATHRBHTT
SCHEMBL16696020 0.70 MEN1 (0.40) MAPTALDH1A1POLBMEN1LMNA
Iodide SCHEMBL6832522 0.69 MEN1 (0.42) MAPTALDH1A1POLBMEN1LMNA
SCHEMBL4615881 0.68 VDR (0.58) MAPTALDH1A1MEN1LMNATHRB
SCHEMBL559385 0.67 TDP1 (0.42) MAPTALDH1A1POLBMEN1LMNA
SCHEMBL4615179 0.66 ESPL1 (0.47) MAPTALDH1A1MEN1LMNATHRB
SCHEMBL6853538 0.64 MAPT (0.47) MAPTALDH1A1POLBMEN1LMNA
SCHEMBL22947199 0.64 TDP1 (0.51) MAPTALDH1A1POLBMEN1LMNA
SCHEMBL12866325 0.64 VDR (0.44) MAPTALDH1A1POLBMEN1LMNA

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-20170242024-A1 IDENTIFYING PEPTIDES AT THE SINGLE MOLECULE LEVEL UNIV TEXAS (US) 2017-08-24 US disclosed
US-9625469-B2 Identifying peptides at the single molecule level BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 US disclosed
US-20140349860-A1 IDENTIFYING PEPTIDES AT THE SINGLE MOLECULE LEVEL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-27 US disclosed