SCHEMBL28073641

SCHEMBL28073641

C=Cc1ccc2c(CC(=O)OCC)csc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 3/20 0.37
MCL1 Q07820 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 3/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
POLB P06746 1/20 0.35
G6PD P11413 1/20 0.35

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
SCHEMBL14564345 0.83 LMNA (0.50) PKMLMNATP53MEN1KMT2A
SCHEMBL2083362 0.82 EGFR (0.48) PKMLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10982988 0.81 SMN1; SMN2 (0.43) PKMLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3922001 0.81 GAA (0.42) PKMLMNATP53MEN1KMT2A
SCHEMBL1471065 0.80 MTNR1A (0.46) PKMTP53MAPTALDH1A1HSD17B10
SCHEMBL28073660 0.80 ITGB3 (0.37) LMNAALDH1A1PPARGPPARDPPARA
SCHEMBL8787255 0.79 SMN1; SMN2 (0.56) PKMTP53MEN1KMT2ASMN1; SMN2
SCHEMBL28073629 0.79 PKM (0.40) PKMLMNATP53MEN1KMT2A
SCHEMBL17444904 0.78 MAPT (0.38) PKMLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15220566 0.78 MAPT (0.38) PKMLMNAMEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104254525-B aromatic ring compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-05-25 CN disclosed