SCHEMBL6508134

SCHEMBL6508134

CCCCCOc1ccc(NC(N)=Nc2nc(C)c3c(n2)CCCC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
FAAH O00519 6/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6508909 0.87 MAPK1 (0.61) CRHBPCRHR2RAB9AMAPK1MAPT
SCHEMBL5923242 0.78 MAPT (0.42) MEN1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL6509463 0.76 CRHBP (0.58) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL6517381 0.73 SMN1; SMN2 (0.53) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL4983220 0.73 ADRA2A (0.66) FAAH
SCHEMBL6511099 0.71 CRHBP (0.57) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL4984764 0.66 ADRA2A (0.56) RAB9AMEN1KMT2AFAAH
SCHEMBL3428651 0.65 PTGES (0.58) FAAHHPGD
SCHEMBL27683655 0.65 FAAH (0.58) FAAH
SCHEMBL6512897 0.65 MAPK1 (0.59) CRHBPCRHR2RAB9AMEN1KMT2A

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