SCHEMBL6510249

SCHEMBL6510249

Cc1cccc(NC(N)=Nc2cccc(OCc3ccccc3)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
GBA1 P04062 1/20 0.54
KMT2A Q03164 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
GRM5 P41594 2/20 0.47
SIGMAR1 Q99720 1/20 0.44
SCN2A Q99250 1/20 0.43
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6510602 0.89 MAPK1 (0.63) MAPK1GBA1KMT2ARAB9ALMNA
SCHEMBL4981988 0.81 MAPK1 (0.69) MAPK1KMT2ARAB9ALMNAMEN1
SCHEMBL6513286 0.80 MAPK1 (0.62) MAPK1KMT2ARAB9ALMNAMEN1
SCHEMBL6510506 0.79 MAPK1 (0.56) MAPK1KMT2ARAB9ALMNAMEN1
SCHEMBL5923022 0.78 GBA1 (0.59) MAPK1GBA1KMT2ARAB9ALMNA
SCHEMBL6508660 0.76 MAPK1 (0.52) MAPK1KMT2ARAB9ALMNAMEN1
SCHEMBL9392429 0.76 SIGMAR1 (0.56) MAPK1KMT2ARAB9APOLBSIGMAR1
SCHEMBL7507926 0.76 MAOB (0.57) MAPK1
SCHEMBL4985874 0.75 MAPK1 (0.64) MAPK1KMT2ARAB9ALMNAMEN1
SCHEMBL4984270 0.75 MAPK1 (0.67) MAPK1KMT2ARAB9ALMNAMEN1

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