SCHEMBL8773766

SCHEMBL8773766

O=C(NCCOc1ccc(Cc2nccs2)cc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LTA4H P09960 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
EPHX2 P34913 1/20 0.46
RAB9A P51151 1/20 0.46
SLC5A1 P13866 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HTR2C P28335 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
F10 P00742 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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 0.82 SMN1; SMN2 (0.62) KMT2AMEN1LTA4HSMN1; SMN2ALDH1A1
SCHEMBL8773761 0.81 MEN1 (0.54) KMT2AMEN1LTA4HSMN1; SMN2ALDH1A1
SCHEMBL8635989 0.78 SMN1; SMN2 (0.57) KMT2AMEN1LTA4HSMN1; SMN2ALDH1A1
SCHEMBL7409264 0.77 SMN1; SMN2 (0.68) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL28619865 0.77 KMT2A (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL1437765 0.76 ACKR3 (0.47) KMT2ASMN1; SMN2ALDH1A1NPC1PKM
SCHEMBL17842262 0.76 RAB9A (0.75) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL8641254 0.75 SMN1; SMN2 (0.56) KMT2AMEN1LTA4HSMN1; SMN2ALDH1A1
SCHEMBL8640087 0.74 SMN1; SMN2 (0.68) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL8773753 0.73 MEN1 (0.46) KMT2AMEN1LTA4HSMN1; SMN2ALDH1A1

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