SCHEMBL3132151

SCHEMBL3132151

Cc1ccc(S(=O)(=O)OC=C(C#N)c2ccco2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
F2 P00734 1/20 0.41
CTSB P07858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 2/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 2/20 0.38
NPC1 O15118 6/20 0.37

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
SCHEMBL3833204 0.79 PTGS2 (0.44) KMT2AMAPTMEN1HSD17B10ALDH1A1
SCHEMBL3833202 0.79 PTGS2 (0.44) KMT2AMAPTMEN1HSD17B10ALDH1A1
SCHEMBL8952094 0.75 ALDH1A1 (0.44) KMT2AMAPTMEN1HSD17B10ALDH1A1
SCHEMBL2749603 0.75 MAPT (0.41) KMT2AMAPTMEN1F2CTSB
SCHEMBL2749601 0.75 MAPT (0.41) KMT2AMAPTMEN1F2CTSB
SCHEMBL13832855 0.74 ENPP3 (0.44) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL343964 0.67 TLR9 (0.44) KMT2AMEN1F2ALDH1A1SMN1; SMN2
SCHEMBL8125386 0.67 KMT2A (0.40) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL8125389 0.67 KMT2A (0.40) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL8951979 0.67 MAPT (0.49) KMT2AMAPTMEN1ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036917-A1 PREVENTION AND TREATMENT OF CANCER WITH RAS GENE MUTATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 WO disclosed
WO-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 WO disclosed
WO-2010036928-A1 PREVENTION AND TREATMENT OF CANCER WITH LKB1 NON-EXPRESSION (DELETION OR MUTATION) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 WO disclosed