SCHEMBL8773753

SCHEMBL8773753

O=C(NCCOc1ccc(CC2=CC(=S)CC=C2)cc1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EPHX2 P34913 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SLC5A1 P13866 1/20 0.40
LTA4H P09960 2/20 0.38
HRH3 Q9Y5N1 2/20 0.37
HTR2C P28335 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
REN P00797 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL8639322 0.79 SMN1; SMN2 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL8773761 0.78 MEN1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL8635989 0.76 SMN1; SMN2 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL7409264 0.74 SMN1; SMN2 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL28619865 0.74 KMT2A (0.57) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL17842262 0.74 RAB9A (0.75) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL8773766 0.73 KMT2A (0.48) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL8641254 0.73 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL7132085 0.73 LTA4H (0.66) ALDH1A1SMN1; SMN2NPC1RAB9ALTA4H
SCHEMBL8640087 0.72 SMN1; SMN2 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2

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-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed