SCHEMBL4755791

SCHEMBL4755791

Cc1[c]nc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
PKM P14618 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35
ATM Q13315 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
SCHEMBL6619906 0.74 ADORA2A (0.43) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL457982 0.71 RAB9A (0.44) L3MBTL1KMT2AMEN1RAB9AALDH1A1
SCHEMBL4755835 0.67 NPC1 (0.48) L3MBTL1KMT2AMEN1RAB9AALDH1A1
SCHEMBL15253853 0.67 GABRA1 (0.42) L3MBTL1KMT2AMEN1RAB9AALDH1A1
SCHEMBL2909035 0.65 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1RAB9AALDH1A1
SCHEMBL2493590 0.65 RAB9A (0.62) L3MBTL1KMT2AMEN1RAB9AALDH1A1
SCHEMBL2909003 0.64 MEN1 (0.52) L3MBTL1KMT2AMEN1RAB9AALDH1A1
SCHEMBL8475027 0.64 BRD4 (0.42) L3MBTL1KMT2ARAB9AALDH1A1NPC1
SCHEMBL637345 0.64 MEN1 (0.43) L3MBTL1KMT2AMEN1RAB9AALDH1A1
SCHEMBL1316597 0.64 RAB9A (0.48) L3MBTL1KMT2AMEN1RAB9AALDH1A1

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-2008154905-A2 MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID SCHEBO BIOTECH AG (DE) 2008-12-24 WO disclosed