SCHEMBL6231706

SCHEMBL6231706

COc1cc(CNC(C)c2ncc(C)s2)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
BCHE P06276 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
NLRP3 Q96P20 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MRGPRX1 Q96LB2 3/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
F7 P08709 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 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
SCHEMBL6231703 1.00 LMNA (0.53) LMNABCHEKMT2AMEN1SMN1; SMN2
SCHEMBL6230153 0.91 MEN1 (0.51) LMNAKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL6232051 0.91 MEN1 (0.51) LMNAKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL6235475 0.90 MTNR1A (0.46) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6276107 0.90 MTNR1A (0.46) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6233814 0.89 FFAR4 (0.45) LMNABCHEKMT2AMEN1RAB9A
SCHEMBL6235977 0.88 KMT2A (0.57) LMNABCHEKMT2AMEN1SMN1; SMN2
SCHEMBL6233811 0.88 HTR7 (0.41) LMNABCHEKMT2AMEN1SMN1; SMN2
SCHEMBL6233809 0.88 HTR7 (0.41) LMNABCHEKMT2AMEN1SMN1; SMN2
SCHEMBL6233689 0.88 CD274 (0.45) LMNAKMT2AMEN1SMN1; SMN2NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed