SCHEMBL1014627

SCHEMBL1014627

CC(C)CS(=O)(=O)c1[c]cccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
FPR1 P21462 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PSIP1 O75475 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL159759 0.80 PSIP1 (0.46) PSIP1
SCHEMBL8749765 0.77 SMN1; SMN2 (0.36) ALDH1A1FPR1HSD17B10PSIP1MAPT
SCHEMBL21491104 0.76 PSIP1 (0.32) ALDH1A1HSD17B10PSIP1
SCHEMBL3540671 0.76 PSIP1 (0.38) ALDH1A1HSD17B10PSIP1MAPTMEN1
SCHEMBL11562313 0.75 HSD11B1 (0.32) HSD17B10PSIP1MAPT
SCHEMBL2730023 0.75 PTGS1 (0.32)
SCHEMBL11565035 0.74 PSIP1 (0.36) ALDH1A1PSIP1MAPT
SCHEMBL10695322 0.74 F2 (0.33) PSIP1MAPT
SCHEMBL8558659 0.74 ALDH1A1 (0.45) ALDH1A1KMT2AHPGD
SCHEMBL7813681 0.73 CA1 (0.47) ALDH1A1HSD17B10MAPTMEN1HTT

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-2271624-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
WO-2009131245-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 WO disclosed