SCHEMBL6507568

SCHEMBL6507568

CCCCc1ccc(CN=C(N)Nc2nc(C)cc(C)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
NPC1 O15118 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
MAPK1 P28482 1/20 0.59
ADORA2A P29274 5/20 0.58
HRH4 Q9H3N8 1/20 0.46
LMNA P02545 1/20 0.42
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL6508788 0.84 RAB9A (0.51) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6507381 0.84 RAB9A (0.54) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6514936 0.81 RAB9A (0.74) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6508538 0.81 RAB9A (0.74) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6507782 0.80 LMNA (0.48) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6507318 0.79 RAB9A (0.46) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL10501630 0.79 ADORA2A (0.56) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL10501633 0.79 ADORA2A (0.56) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6510696 0.79 RAB9A (0.59) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL2801062 0.75 ADORA2A (0.73) RAB9AMEN1KMT2ANPC1SMN1; 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 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