SCHEMBL6511310

SCHEMBL6511310

Cc1nc(NC(N)=Nc2cccc(-c3ccccc3)c2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
LMNA P02545 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 6/20 0.54
ALOX12 P18054 3/20 0.54
MAPT P10636 6/20 0.54
HPGD P15428 1/20 0.52
NPC1 O15118 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
STAT3 P40763 1/20 0.51
RECQL P46063 1/20 0.51
HIF1A Q16665 1/20 0.51
MPO P05164 1/20 0.45
RAD52 P43351 1/20 0.45
KDM4E B2RXH2 5/20 0.43
HTT P42858 1/20 0.43
CRHBP P24387 1/20 0.43

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
SCHEMBL6518559 0.89 SMN1; SMN2 (0.55) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6507347 0.85 LMNA (0.52) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6510506 0.81 MAPK1 (0.56) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6509392 0.80 MAPT (0.43) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL27341477 0.77 ALDH1A1 (0.60) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6510261 0.76 LMNA (0.52) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6518218 0.76 RECQL (0.51) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6510702 0.75 ALDH1A1 (0.48) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL5923560 0.73 KMT2A (0.51) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7058869 0.73 SMN1; SMN2 (0.44) KMT2AMEN1LMNASMN1; SMN2ALDH1A1

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