SCHEMBL4314968

SCHEMBL4314968

Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(NC(=O)O)cc3)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.58
FFAR1 O14842 1/20 0.56
KDM4E B2RXH2 6/20 0.55
LMNA P02545 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 1/20 0.55
POLB P06746 2/20 0.51
ALDH1A1 P00352 3/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SLC22A12 Q96S37 1/20 0.48

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
SCHEMBL14949666 0.85 SLC22A12 (0.53) GFERFFAR1KDM4ELMNAMEN1
SCHEMBL12892584 0.85 AR (0.54) GFERFFAR1KDM4ELMNAMEN1
SCHEMBL14949665 0.83 SLC22A12 (0.51) GFERKDM4ELMNAMEN1KMT2A
SCHEMBL13981779 0.80 KDM4E (0.53) FFAR1KDM4ELMNAALDH1A1HTT
SCHEMBL1259881 0.78 KDM4E (0.50) GFERFFAR1KDM4ELMNAMEN1
SCHEMBL3644939 0.75 ALDH1A1 (0.48) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL1471967 0.75 FFAR1 (0.88) GFERFFAR1LMNAMEN1KMT2A
SCHEMBL31748788 0.75 ALDH1A1 (0.82) KDM4ELMNAKMT2AMAPTPOLB
SCHEMBL3486122 0.75 ALDH1A1 (0.82) KDM4ELMNAKMT2AMAPTPOLB
SCHEMBL3643634 0.75 MAPT (0.48) KDM4ELMNAMEN1KMT2AMAPT

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
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 WO disclosed