SCHEMBL435161

SCHEMBL435161

Fc1ccccc1-c1ccn[c]c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
PKM P14618 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2A P29274 1/20 0.34
MAOA P21397 1/20 0.34
BLVRB P30043 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL435001 0.81 LRRK2 (0.39) RAB9ANPC1MAPK1CCNE1CDK2
SCHEMBL2399248 0.80 NOTUM (0.34) RAB9ANPC1PKMKMT2ASMN1; SMN2
SCHEMBL5188682 0.77 ALDH1A1 (0.43) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL6455148 0.71 NISCH (0.59) KMT2AMEN1NISCHKDM4EALDH1A1
SCHEMBL8473218 0.69 HPGD (0.53) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3758939 0.68 ALDH1A1 (0.37) KMT2ASMN1; SMN2MEN1NISCHADORA1
SCHEMBL3759980 0.68 PDE10A (0.36) RAB9ANPC1PKMKMT2ASMN1; SMN2
SCHEMBL3751748 0.68 BACE1 (0.38) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3759693 0.68 CYP2A6 (0.37) RAB9ANPC1PKMKMT2ASMN1; SMN2
SCHEMBL5066129 0.68 MAPK1 (0.47) RAB9ANPC1PKMKMT2ASMN1; SMN2

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-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed