SCHEMBL6510690

SCHEMBL6510690

COc1ccc(NC(N)=Nc2nc(C)cc(C)n2)cc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 5/20 0.68
CRHR2 Q13324 5/20 0.68
KMT2A Q03164 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MEN1 O00255 3/20 0.68
MAPT P10636 1/20 0.68
RAB9A P51151 2/20 0.62
LMNA P02545 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
AHR P35869 1/20 0.59
HTT P42858 1/20 0.59
POLB P06746 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
NR4A1 P22736 1/20 0.55
MAPK1 P28482 4/20 0.54
F2 P00734 1/20 0.54
TSHR P16473 1/20 0.54
RAD52 P43351 1/20 0.53

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
SCHEMBL6514940 0.91 CRHBP (0.68) CRHBPCRHR2KMT2ASMN1; SMN2MEN1
SCHEMBL6513368 0.81 CRHBP (1.00) CRHBPCRHR2KMT2ASMN1; SMN2MEN1
SCHEMBL6515782 0.81 KMT2A (0.74) CRHBPCRHR2KMT2ASMN1; SMN2MEN1
SCHEMBL6510821 0.79 CRHBP (0.80) CRHBPCRHR2KMT2ASMN1; SMN2MEN1
SCHEMBL10498926 0.79 CRHBP (0.83) CRHBPCRHR2KMT2ASMN1; SMN2MEN1
SCHEMBL6509819 0.77 RAB9A (1.00) CRHBPCRHR2KMT2ASMN1; SMN2MEN1
SCHEMBL5923254 0.77 ALDH1A1 (0.44) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL6510790 0.74 LMNA (0.71) CRHBPCRHR2KMT2ASMN1; SMN2MEN1
SCHEMBL6512924 0.73 CRHBP (0.68) CRHBPCRHR2KMT2ASMN1; SMN2MEN1
SCHEMBL6510923 0.72 CRHBP (0.60) CRHBPCRHR2KMT2ASMN1; SMN2MEN1

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