SCHEMBL3376394

SCHEMBL3376394

Cn1c(=O)n(CC#N)c(=O)c2c1nc(SCCCC(=O)O)n2Cc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.54
PIK3CG P48736 1/20 0.54
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
HIF1A Q16665 1/20 0.50
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.47
PRNP P04156 1/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL16059176 0.89 LMNA (0.62) BRAFPIK3CGALDH1A1LMNAGAA
SCHEMBL3376398 0.82 ALDH1A1 (0.50) BRAFPIK3CGALDH1A1LMNAHPGD
SCHEMBL30361118 0.79 ALDH1A1 (0.50) BRAFALDH1A1LMNAGAAHPGD
SCHEMBL660801 0.79 ALDH1A1 (0.50) BRAFALDH1A1LMNAGAAHPGD
SCHEMBL16079488 0.78 MAOB (0.62) ALDH1A1LMNAGAAHPGDHIF1A
SCHEMBL16029365 0.76 MAOA (0.63) ALDH1A1LMNAGAAHPGDMAOA
SCHEMBL16079502 0.76 MAOB (0.63) BRAFPIK3CGALDH1A1LMNAGAA
SCHEMBL17772706 0.74 MAOA (0.74) ALDH1A1LMNAGAAHPGDHIF1A
SCHEMBL16030391 0.74 MAOA (0.61) BRAFALDH1A1LMNAGAAMAOA
SCHEMBL16029594 0.73 MAOA (0.60) BRAFALDH1A1LMNAGAAMAOA

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 2 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
WO-2010044878-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2010-04-22 WO disclosed