SCHEMBL3553922

SCHEMBL3553922

COC(=O)Nc1csc(C)c1C(=O)OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.76
POLB P06746 2/20 0.64
LMNA P02545 2/20 0.64
HPGD P15428 3/20 0.43
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 2/20 0.37
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3980819 0.86 MAPT (1.00) MAPTPOLBLMNAHPGDPKM
SCHEMBL3556358 0.82 MAPT (0.61) MAPTPOLBLMNAHPGDPKM
SCHEMBL3555247 0.79 NPC1 (0.58) MAPTPOLBLMNAKMT2ASMN1; SMN2
SCHEMBL10566391 0.76 MAPT (0.61) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL13861476 0.76 MAPT (0.61) MAPTPOLBLMNAHPGDPKM
SCHEMBL11464576 0.74 MAPT (0.59) MAPTPOLBLMNAHPGDPKM
Hydrochloric Acid SCHEMBL4931737 0.71 MAPT (0.56) MAPTPOLBLMNAHPGDMEN1
SCHEMBL11820340 0.71 MAPT (0.55) MAPTPOLBLMNAHPGDMEN1
SCHEMBL17209588 0.70 MAPT (0.54) MAPTPOLBLMNAHPGDMEN1
SCHEMBL12230248 0.69 MAPT (0.52) MAPTPOLBLMNAMEN1KMT2A

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-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US claimed