SCHEMBL11223

SCHEMBL11223

CC(C)(C)OC(=O)NCCc1oc2ccc(Br)cc2c(=O)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
BCHE P06276 2/20 0.41
CNR2 P34972 2/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPK8 P45983 2/20 0.39
NQO2 P16083 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL9138 0.78 GABRP (0.49) KDM4ELMNAKMT2ASMN1; SMN2MAPT
SCHEMBL149486 0.78 PIK3CD (0.49) KDM4EALDH1A1HPGDHTTMEN1
SCHEMBL8473 0.78 PIK3CD (0.49) KDM4EALDH1A1HPGDHTTMEN1
SCHEMBL1781414 0.77 GABRP (0.46) KDM4EALDH1A1HPGDHTTMEN1
SCHEMBL8656 0.76 GABRP (0.49) KMT2ASMN1; SMN2MAPTL3MBTL1GABRP
SCHEMBL8459 0.75 GABRP (0.51) KDM4EMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL11634 0.75 GABRP (0.42) KDM4EALDH1A1HPGDHTTMEN1
SCHEMBL27899985 0.75 GABRP (0.42) KDM4EALDH1A1HPGDHTTMEN1
SCHEMBL11222 0.74 GABRP (0.40) KDM4EALDH1A1HPGDMEN1LMNA
SCHEMBL8257 0.74 GABRP (0.52) KDM4ELMNAKMT2ASMN1; SMN2MAPT

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-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed