SCHEMBL6513445

SCHEMBL6513445

Cc1cccc(N=C(N)Nc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 4/20 0.65
CRHR2 Q13324 4/20 0.65
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
MAPT P10636 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ADRA2A P08913 4/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
CYP1A2 P05177 2/20 0.45
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
STAT3 P40763 1/20 0.45
RECQL P46063 1/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 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 0.85 SMN1; SMN2 (0.55) CRHBPCRHR2KMT2AMEN1MAPT
SCHEMBL6506989 0.84 CRHBP (0.70) CRHBPCRHR2KMT2AMEN1MAPT
SCHEMBL6513368 0.79 CRHBP (1.00) CRHBPCRHR2KMT2AMEN1MAPT
SCHEMBL6509984 0.78 MAPK1 (0.54) CRHBPCRHR2KMT2AMEN1MAPT
SCHEMBL6510020 0.76 CRHBP (0.56) CRHBPCRHR2KMT2AMEN1MAPT
SCHEMBL6510821 0.71 CRHBP (0.80) CRHBPCRHR2KMT2AMEN1MAPT
SCHEMBL6508975 0.70 MEN1 (0.53) CRHBPCRHR2KMT2AMEN1MAPT
SCHEMBL10498926 0.69 CRHBP (0.83) CRHBPCRHR2KMT2AMEN1MAPT
SCHEMBL5923672 0.69 GRM5 (0.59) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL10499209 0.68 ADRA2A (0.97) KMT2AMEN1MAPTSMN1; SMN2ADRA2A

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