SCHEMBL6509984

SCHEMBL6509984

Cc1cccc(N=C(N)Nc2cccc(Oc3ccccc3)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
SIGMAR1 Q99720 2/20 0.49
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
NR4A1 P22736 1/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
PLAU P00749 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 3/20 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
SCHEMBL6509580 0.90 SMN1; SMN2 (0.55) MAPK1CRHBPCRHR2POLBF13A1
SCHEMBL6509097 0.88 MAPK1 (0.54) MAPK1SIGMAR1CRHBPCRHR2POLB
SCHEMBL6513445 0.78 CRHBP (0.65) MAPK1SIGMAR1CRHBPCRHR2POLB
SCHEMBL6508975 0.78 MEN1 (0.53) MAPK1CRHBPCRHR2POLBCYP1A2
SCHEMBL6512853 0.78 SIGMAR1 (0.72) MAPK1SIGMAR1CRHBPCRHR2POLB
SCHEMBL6510959 0.77 CYP1A2 (0.74) MAPK1SIGMAR1CRHBPCRHR2POLB
SCHEMBL6517381 0.73 SMN1; SMN2 (0.53) MAPK1SIGMAR1CRHBPCRHR2POLB
SCHEMBL5923312 0.72 MEN1 (0.58) MAPK1POLBKMT2APLAUMAPT
SCHEMBL6510020 0.72 CRHBP (0.56) MAPK1SIGMAR1CRHBPCRHR2POLB
SCHEMBL5923480 0.70 RAB9A (0.58) MAPK1POLBF13A1TGM2KMT2A

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