SCHEMBL6509463

SCHEMBL6509463

CCCCCOc1ccc(NC(N)=Nc2nc(OC)cc(OC)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.58
CRHR2 Q13324 3/20 0.58
RAB9A P51151 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FAAH O00519 8/20 0.47
AR P10275 1/20 0.46
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL6510623 0.85 RAB9A (0.67) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL5923100 0.77 GAA (0.44) FAAH
SCHEMBL6511099 0.76 CRHBP (0.57) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL4983220 0.76 ADRA2A (0.66) FAAHSIGMAR1
SCHEMBL6508134 0.76 CRHBP (0.51) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL9622519 0.75 SMN1; SMN2 (0.42) CRHBPCRHR2RAB9AKMT2AMAPK1
SCHEMBL6512924 0.73 CRHBP (0.68) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL5923088 0.71 MAPT (0.48) MEN1KMT2ALMNAPOLBFAAH
SCHEMBL27683655 0.70 FAAH (0.58) FAAH
SCHEMBL3428651 0.70 PTGES (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