SCHEMBL9118319

SCHEMBL9118319

O=C(O)C1C=Cc2ccccc2C1=S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
BCHE P06276 1/20 0.34
POLB P06746 1/20 0.34
PTPRC P08575 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
IDO1 P14902 1/20 0.34
HPGD P15428 1/20 0.34
PTPN1 P18031 1/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN22 Q9Y2R2 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
SCHEMBL16554367 0.81 EDNRB (0.41) KMT2AALDH1A1MEN1MAPTALOX15
SCHEMBL28075589 0.77 MEN1 (0.35) KMT2AALDH1A1MEN1MAPTALOX15
SCHEMBL10422643 0.77 MEN1 (0.32) KMT2AALDH1A1MEN1MAPTALOX15
SCHEMBL29401941 0.75 EDNRA (0.39) KMT2AALDH1A1MEN1EDNRBEDNRA
SCHEMBL63928 0.75 EDNRA (0.39) KMT2AALDH1A1MEN1EDNRBEDNRA
Ammonia Solution, Strong SCHEMBL28107850 0.73 EDNRA (0.38) KMT2AALDH1A1MEN1EDNRBEDNRA
SCHEMBL28970647 0.73 EDNRA (0.38) KMT2AALDH1A1MEN1EDNRBEDNRA
SCHEMBL6624129 0.71 KDM4E (0.33) KMT2AALDH1A1MEN1MAPTALOX15
SCHEMBL6215765 0.70 MAPT (0.39) KMT2AALDH1A1MEN1MAPTALOX15
SCHEMBL2979979 0.67 MEN1 (0.42) KMT2AALDH1A1MEN1MAPTALOX15

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
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 WO claimed
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 WO disclosed