SCHEMBL6507318

SCHEMBL6507318

CCCCc1ccc(CN=C(N)Nc2nc(C)c3c(n2)CCCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 1/20 0.41
ADORA2A P29274 2/20 0.38
KDM4E B2RXH2 2/20 0.36
GFER P55789 1/20 0.36
TP53 P04637 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL6507985 0.84 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6507568 0.79 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5923235 0.77 KDM4E (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6507782 0.77 LMNA (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6514076 0.76 ADORA2A (0.52) RAB9ANPC1SMN1; SMN2KMT2AADORA2A
SCHEMBL5923382 0.75 MEN1 (0.42) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL6508788 0.74 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5923413 0.74 MEN1 (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6508909 0.74 MAPK1 (0.61) RAB9ANPC1MAPK1MAPT
SCHEMBL6507381 0.70 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed