SCHEMBL7607708

SCHEMBL7607708

COc1ccc(CSCCCCC#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
ALDH1A1 P00352 6/20 0.44
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
PKM P14618 1/20 0.42
IDO1 P14902 3/20 0.41
APP P05067 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
CHRM2 P08172 1/20 0.38
SLC6A4 P31645 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL27958966 0.79 LMNA (0.46) ALDH1A1SMN1; SMN2PKMIDO1APP
SCHEMBL425010 0.78 LMNA (0.48) ALDH1A1SMN1; SMN2PKMIDO1APP
SCHEMBL7283077 0.78 CALM1 (0.55) MAOBALDH1A1GAAIDO1L3MBTL1
SCHEMBL13067926 0.78 IDO1 (0.47) ALDH1A1GAASMN1; SMN2PKMIDO1
SCHEMBL531291 0.78 SMN1; SMN2 (0.47) MAOBMAOAALDH1A1GAASMN1; SMN2
SCHEMBL530937 0.78 IDO1 (0.47) ALDH1A1GAASMN1; SMN2PKMIDO1
SCHEMBL25316972 0.77 IDO1 (0.46) MAOBMAOAALDH1A1GAASMN1; SMN2
SCHEMBL25919391 0.77 IDO1 (0.46) MAOBMAOAALDH1A1GAASMN1; SMN2
SCHEMBL8881221 0.76 CALM1 (0.56) MAOBALDH1A1GAASMN1; SMN2IDO1
SCHEMBL62037 0.75 IDO1 (0.59) MAOBMAOAALDH1A1GAASMN1; SMN2

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-1212096-A2 DRUG CONJUGATES AND METHODS OF DESIGNING THE SAME Brenner, Sydney (US) 2002-06-12 EP disclosed
WO-2001013958-A2 DRUG CONJUGATES AND METHODS OF DESIGNING THE SAME BRENNER SYDNEY (US) 2001-03-01 WO disclosed