SCHEMBL16059115

SCHEMBL16059115

CCCn1c(=O)c2c(nc(SC(CC)C(=O)O)n2Cc2cccc(Br)c2)n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
HIF1A Q16665 1/20 0.53
MAPK1 P28482 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 4/20 0.49
TSHR P16473 4/20 0.49
PRNP P04156 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
KMT2A Q03164 2/20 0.48
BRAF P15056 2/20 0.48
PIK3CG P48736 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL16058565 0.93 LMNA (0.53) ALDH1A1HPGDHIF1AMAPK1MAPT
SCHEMBL16059173 0.92 MAPT (0.58) ALDH1A1HPGDHIF1AMAPK1MAPT
SCHEMBL16058243 0.92 KMT2A (0.53) ALDH1A1HPGDHIF1AMAPK1MAPT
SCHEMBL14238217 0.92 ALDH1A1 (0.52) ALDH1A1HPGDHIF1AMAPK1MAPT
SCHEMBL30361173 0.91 ALDH1A1 (0.53) ALDH1A1HPGDHIF1AMAPK1MAPT
SCHEMBL662695 0.91 ALDH1A1 (0.53) ALDH1A1HPGDHIF1AMAPK1MAPT
SCHEMBL3376398 0.90 ALDH1A1 (0.50) ALDH1A1HPGDHIF1AMAPK1MAPT
SCHEMBL16060081 0.89 LMNA (0.61) ALDH1A1HPGDHIF1AMAPK1MAPT
SCHEMBL663150 0.84 ALDH1A1 (0.53) ALDH1A1HPGDHIF1AMAPK1MAPT
SCHEMBL30361124 0.84 ALDH1A1 (0.53) ALDH1A1HPGDHIF1AMAPK1MAPT

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-2968257-A1 METHODS AND COMPOSITONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2016-01-20 EP disclosed
EP-2968220-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION Agenebio, Inc. (US) 2016-01-20 EP disclosed
WO-2014144546-A1 METHODS AND COMPOSITONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 WO disclosed
WO-2014144801-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION AGENEBIO INC. (US) 2014-09-18 WO disclosed