SCHEMBL3376398

SCHEMBL3376398

CCC(Sc1nc2c(c(=O)n(CC#N)c(=O)n2C)n1Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 3/20 0.47
MAPK1 P28482 4/20 0.47
LMNA P02545 4/20 0.46
TSHR P16473 4/20 0.46
PRNP P04156 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.46
BRAF P15056 3/20 0.45
PIK3CG P48736 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL660801 0.91 ALDH1A1 (0.50) ALDH1A1HPGDHIF1AMAPTMAPK1
SCHEMBL30361118 0.91 ALDH1A1 (0.50) ALDH1A1HPGDHIF1AMAPTMAPK1
SCHEMBL16059115 0.90 ALDH1A1 (0.53) ALDH1A1HPGDHIF1AMAPTMAPK1
SCHEMBL16059173 0.89 MAPT (0.58) ALDH1A1HPGDHIF1AMAPTMAPK1
SCHEMBL14238217 0.89 ALDH1A1 (0.52) ALDH1A1HPGDHIF1AMAPTMAPK1
SCHEMBL16058565 0.88 LMNA (0.53) ALDH1A1HPGDHIF1AMAPTMAPK1
SCHEMBL16058243 0.87 KMT2A (0.53) ALDH1A1HPGDHIF1AMAPTMAPK1
SCHEMBL16060081 0.86 LMNA (0.61) ALDH1A1HPGDHIF1AMAPTMAPK1
SCHEMBL30361121 0.83 ALDH1A1 (0.50) ALDH1A1HPGDHIF1AMAPTMAPK1
SCHEMBL660065 0.83 ALDH1A1 (0.50) ALDH1A1HPGDHIF1AMAPTMAPK1

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
EP-2919788-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA The Johns Hopkins University (US) 2015-09-23 EP disclosed
EP-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
WO-2010044878-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2010-04-22 WO disclosed