SCHEMBL6507406

SCHEMBL6507406

Cc1cc(C)nc(NC(N)=Nc2ccc(Cc3ccccc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
SLC22A2 O15244 1/20 0.51
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADORA2A P29274 3/20 0.47
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.44
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43

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
SCHEMBL6510588 0.90 LMNA (0.50) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL10498925 0.87 LMNA (0.61) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL10498921 0.87 LMNA (0.61) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL4093098 0.80 LMNA (0.52) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL10501448 0.79 CYP1A2 (0.49) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL10501444 0.79 CYP1A2 (0.49) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL14861786 0.79 SIGMAR1 (0.65) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL4101661 0.76 LMNA (0.54) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL2801062 0.76 ADORA2A (0.73) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL4101663 0.76 LMNA (0.54) RAB9AKMT2AMEN1LMNASMN1; 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