SCHEMBL6507381

SCHEMBL6507381

CCCCc1ccc(CN=C(N)Nc2cc(C)cc(C)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 2/20 0.53
ADORA2A P29274 2/20 0.41
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
PHGDH O43175 4/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
LMNA P02545 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
SCHEMBL6507568 0.84 RAB9A (0.72) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6510332 0.82 KMT2A (0.55) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6513329 0.81 MAPK1 (0.53) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL5923669 0.75 MAPK1 (0.43) RAB9AMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6508788 0.74 RAB9A (0.51) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6515410 0.73 ADORA2A (0.56) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL5923410 0.72 MAPK1 (0.48) RAB9AMEN1KMT2AMAPK1LMNA
SCHEMBL5923622 0.71 MEN1 (0.43) RAB9AMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6507782 0.70 LMNA (0.48) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6507318 0.70 RAB9A (0.46) 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