SCHEMBL6509756

SCHEMBL6509756

COc1ccc(C2CCCCC2)cc1N=C(N)Nc1nc(C)cc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AHR P35869 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
ADORA2A P29274 1/20 0.40
MEN1 O00255 3/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.38
F2 P00734 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37

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
SCHEMBL6509978 0.81 NOS3 (0.48) KMT2ALMNASMN1; SMN2L3MBTL1CRHBP
SCHEMBL6510782 0.79 NOS3 (0.45) KMT2ALMNAHTTSMN1; SMN2AHR
SCHEMBL5923477 0.76 TEK (0.44) KMT2ALMNAHTTSMN1; SMN2AHR
SCHEMBL4113783 0.71 GRIN2D (0.56) KMT2ALMNAHTTSMN1; SMN2AHR
SCHEMBL6509226 0.70 NOS3 (0.46) LMNASMN1; SMN2L3MBTL1HPGDTSHR
SCHEMBL9325871 0.69 PDE4A (0.59) KMT2ALMNACYP1A2HPGDMAPT
SCHEMBL6179442 0.67 L3MBTL1 (0.47) KMT2ALMNAL3MBTL1MEN1MAPT
SCHEMBL6515597 0.67 NOS3 (0.45) KMT2ALMNAHTTSMN1; SMN2AHR
SCHEMBL1265515 0.67 CYP3A4 (0.45) KMT2ALMNACYP1A2HPGDMAPT
SCHEMBL5923158 0.66 HDAC3 (0.42) KMT2ALMNAHTTSMN1; SMN2L3MBTL1

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