SCHEMBL6511099

SCHEMBL6511099

CCCCCOc1ccc(NC(N)=Nc2cc(C)cc(C)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.57
CRHR2 Q13324 3/20 0.57
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FAAH O00519 8/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRA2A P08913 1/20 0.44

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
SCHEMBL6508975 0.79 MEN1 (0.53) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL6509463 0.76 CRHBP (0.58) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL4983220 0.75 ADRA2A (0.66) FAAHADRA2A
SCHEMBL5923126 0.75 CHRNB2 (0.50) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL6512568 0.73 CRHBP (0.53) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL6508134 0.71 CRHBP (0.51) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL5923381 0.71 MAPT (0.55) KMT2ALMNAFAAHKDM4EMAPT
SCHEMBL5923063 0.70 MAPT (0.54) KMT2AFAAHKDM4EMAPTHPGD
SCHEMBL3428651 0.70 PTGES (0.58) FAAHHPGD
SCHEMBL27683655 0.70 FAAH (0.58) FAAH

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