SCHEMBL11564640

SCHEMBL11564640

O=C(O)C(Sc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
EPHX1 P07099 1/20 0.49
PTGS2 P35354 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
S1PR3 Q99500 1/20 0.44
PAX8 Q06710 1/20 0.43
FPR2 P25090 1/20 0.43
ADAM17 P78536 1/20 0.42

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
SCHEMBL645517 0.87 LMNA (0.65) LMNAEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL934969 0.86 LMNA (0.49) LMNAEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL6782198 0.86 MEN1 (0.45) LMNAEPHX1PTGS2MEN1KMT2A
SCHEMBL27599627 0.85 KMT2A (0.44) LMNAMEN1KMT2ASMN1; SMN2PKM
SCHEMBL27599603 0.85 MEN1 (0.44) LMNAEPHX1PTGS2MEN1KMT2A
SCHEMBL11562132 0.82 CYP2C9 (0.59) LMNAEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL1565683 0.82 LMNA (0.56) LMNAMEN1KMT2ASMN1; SMN2PKM
SCHEMBL28703755 0.82 CYP2C9 (0.59) LMNAEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL14931890 0.82 LMNA (0.51) LMNAEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL29283515 0.82 LMNA (0.56) LMNAMEN1KMT2ASMN1; SMN2PKM

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
US-4157399-A Benzo(B)thiophenes PARCOR (FR) 1979-06-05 US disclosed