SCHEMBL6510602

SCHEMBL6510602

Cc1cc(C)nc(NC(N)=Nc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SCN2A Q99250 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
GBA1 P04062 1/20 0.43
PPARG P37231 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
PHGDH O43175 2/20 0.40

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
SCHEMBL6510249 0.89 MAPK1 (0.62) MAPK1MEN1KMT2ANPSR1LMNA
SCHEMBL6515320 0.84 SIGMAR1 (0.46) MAPK1MEN1KMT2ANPSR1LMNA
SCHEMBL6513286 0.80 MAPK1 (0.62) MAPK1MEN1KMT2ANPSR1LMNA
SCHEMBL4981988 0.80 MAPK1 (0.69) MAPK1MEN1KMT2ANPSR1LMNA
SCHEMBL5923357 0.79 MAPK1 (0.57) MAPK1MEN1KMT2ANPSR1LMNA
SCHEMBL6510506 0.78 MAPK1 (0.56) MAPK1MEN1KMT2ANPSR1LMNA
SCHEMBL6508660 0.75 MAPK1 (0.52) MAPK1MEN1KMT2ANPSR1LMNA
SCHEMBL7507926 0.74 MAOB (0.57) MAPK1SIRT2PLAUPLATMAOB
SCHEMBL4985874 0.73 MAPK1 (0.64) MAPK1MEN1KMT2ANPSR1LMNA
SCHEMBL6509745 0.73 MAPK1 (0.53) MAPK1MEN1KMT2ANPSR1LMNA

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