SCHEMBL46510

SCHEMBL46510

BCC(=O)c1cc(C#N)cc(OCCOC)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MMP2 P08253 3/20 0.37
RAB9A P51151 2/20 0.37
MMP3 P08254 1/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
PLA2G2A P14555 1/20 0.37
RORC P51449 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL39013 0.87 MAPT (0.60) MAPTALDH1A1MMP2RAB9AMMP3
SCHEMBL38464 0.86 GSK3B (0.50) MAPTALDH1A1MMP2RAB9AMMP3
SCHEMBL5223976 0.84 PLA2G2A (0.54) MAPTALDH1A1MMP2RAB9ANPC1
SCHEMBL38560 0.82 MAPT (0.54) MAPTALDH1A1RAB9ANPC1RECQL
SCHEMBL5225023 0.82 MAPT (0.48) MAPTALDH1A1MMP2RAB9AMMP3
SCHEMBL14227712 0.76 MAPT (0.49) MAPTALDH1A1RAB9ANPC1RECQL
SCHEMBL17640942 0.75 KCNH2 (0.42) MAPTALDH1A1NPC1RORC
SCHEMBL12128097 0.74 KCNH2 (0.43) MAPTALDH1A1L3MBTL1
SCHEMBL23352170 0.73 PLA2G2A (0.64) MAPTRAB9ANPC1RECQLPLA2G2A
SCHEMBL19254700 0.73 CYP2A6 (0.39) MAPTALDH1A1RECQL

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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 WO disclosed