SCHEMBL2659960

SCHEMBL2659960

CCOC(=O)c1cc2cc(C)cc(NS(=O)(=O)c3sccc3C)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MMP13 P45452 3/20 0.43
MMP2 P08253 2/20 0.43
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
XDH P47989 1/20 0.40
LMNA P02545 5/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL2660468 0.87 DAO (0.39) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL2660539 0.87 MMP13 (0.40) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2660266 0.86 MEN1 (0.39) ALDH1A1RAB9ASMN1; SMN2XDHNPC1
SCHEMBL2660569 0.85 ALDH1A1 (0.39) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1652707 0.85 CNKSR1 (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2659460 0.83 MEN1 (0.34) RAB9AXDHNPC1MEN1GAA
SCHEMBL2659102 0.81 CDK1 (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2659681 0.77 SLC40A1 (0.37) KDM4EGAAMAPTKMT2A
SCHEMBL1653068 0.76 MEN1 (0.46) ALDH1A1HPGDMMP13MMP2LMNA
SCHEMBL2660500 0.76 KDM4E (0.36) KDM4EMEN1GAAMAPTKMT2A

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-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed