SCHEMBL2659355

SCHEMBL2659355

CCOC(=O)c1cc2cc(OCCCS(C)(=O)=O)cc(NS(=O)(=O)c3ncccc3C)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.38
MMP13 P45452 3/20 0.38
POLB P06746 1/20 0.38
SLC40A1 Q9NP59 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
HTT P42858 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
SCHEMBL2660085 0.91 POLB (0.41) MMP2MMP13POLBSLC40A1KDM4E
SCHEMBL2659672 0.91 SLC40A1 (0.37) SLC40A1LMNAHPGDMEN1KMT2A
SCHEMBL2660421 0.88 LMNA (0.45) MMP2MMP13POLBSLC40A1KDM4E
SCHEMBL2659994 0.88 SLC40A1 (0.41) MMP2MMP13POLBSLC40A1KDM4E
SCHEMBL2659240 0.82 POLB (0.50) MMP2MMP13POLBSLC40A1KDM4E
SCHEMBL2659714 0.81 SLC40A1 (0.38) POLBSLC40A1ALDH1A1LMNAHPGD
SCHEMBL2659522 0.80 SLC40A1 (0.38) POLBSLC40A1ALDH1A1LMNAHPGD
SCHEMBL2660667 0.80 MAPT (0.35) SLC40A1LMNAMAPTFFAR1
SCHEMBL2659586 0.80 MAPT (0.36) POLBSLC40A1ALDH1A1LMNAHPGD
SCHEMBL2661711 0.79 POLB (0.38) MMP2MMP13POLBSLC40A1KDM4E

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