SCHEMBL27618779

SCHEMBL27618779

Cc1nc(-c2cc[c]c(O)c2)co1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.49
ENPP1 P22413 3/20 0.49
SCN9A Q15858 1/20 0.39
POLB P06746 3/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
PARP1 P09874 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8210583 0.81 ENPP3 (0.49) ENPP3ENPP1SCN9APOLBTP53
SCHEMBL2438565 0.75 ENPP3 (0.63) ENPP3ENPP1SCN9APOLBTP53
SCHEMBL3318051 0.73 ENPP3 (0.59) ENPP3ENPP1SCN9APOLBTP53
SCHEMBL24415640 0.72 ENPP3 (0.69) ENPP3ENPP1POLBTP53KMT2A
SCHEMBL13344879 0.71 ENPP3 (0.53) ENPP3ENPP1SCN9APOLBTP53
SCHEMBL14259170 0.71 ENPP3 (0.53) ENPP3ENPP1SCN9APOLBTP53
SCHEMBL12515392 0.70 ENPP3 (0.61) ENPP3ENPP1SCN9APOLBTP53
SCHEMBL28025185 0.70 ENPP3 (0.72) ENPP3ENPP1POLBTP53KMT2A
SCHEMBL8684452 0.69 LMNA (0.37) POLBKMT2AMEN1MAPTNPC1
SCHEMBL10263343 0.69 ENPP3 (0.84) ENPP3ENPP1SCN9APOLBTP53

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
CN-1639145-A Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORP (US) 2005-07-13 CN disclosed