SCHEMBL8795647

SCHEMBL8795647

COC(=O)Oc1cccnc1SCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
PKM P14618 1/20 0.64
ALDH1A1 P00352 3/20 0.57
CYP2C9 P11712 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
FFAR1 O14842 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 2/20 0.43
GCK P35557 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 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
SCHEMBL10431246 0.82 PKM (0.42) L3MBTL1PKMALDH1A1SMN1; SMN2TP53
SCHEMBL8630241 0.78 L3MBTL1 (1.00) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL3594763 0.73 ALDH1A1 (1.00) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL8882805 0.73 L3MBTL1 (0.50) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL10720423 0.73 L3MBTL1 (0.41) L3MBTL1PKMALDH1A1KMT2AHSD17B10
SCHEMBL8795182 0.72 MAPT (0.44) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL10527190 0.72 L3MBTL1 (0.46) L3MBTL1PKMALDH1A1CYP2C9MEN1
Hydrochloric Acid SCHEMBL10517128 0.72 ALDH1A1 (0.97) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL3248057 0.71 ALDH1A1 (0.52) L3MBTL1PKMALDH1A1SMN1; SMN2TP53
SCHEMBL13207381 0.71 ALDH1A1 (0.74) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799398-A1 OPTICAL DEVICE COMPRISING A PLURALITY OF UNITS HAVING AT LEAST TWO GEOMETRICALLY-DIFFERENTIATED TAPERED OPTICAL WAVEGUIDES THEREIN AlliedSignal Inc. (US) 1997-10-08 EP disclosed
WO-1996020370-A1 OPTICAL DEVICE COMPRISING A PLURALITY OF UNITS HAVING AT LEAST TWO GEOMETRICALLY-DIFFERENTIATED TAPERED OPTICAL WAVEGUIDES THEREIN ALLIEDSIGNAL INC. (US) 1996-07-04 WO disclosed