SCHEMBL1850127

SCHEMBL1850127

CCOC(=O)c1sc2c(Br)cccc2c1C.Cc1c(C(=O)O)sc2c(Br)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.48
MAPT P10636 7/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
GAA P10253 2/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
PDE3B Q13370 1/20 0.42

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
SCHEMBL1850633 0.95 MAPT (0.44) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL1851331 0.88 GPR35 (0.60) GPR35RXFP1
SCHEMBL21950401 0.82 CDC7 (0.42) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL30640501 0.82 NPC1 (0.45) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL21874522 0.82 ALDH1A1 (0.45) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL26621957 0.82 NPC1 (0.45) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL21874488 0.82 KDM4E (0.51) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL31490811 0.82 ALDH1A1 (0.45) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL31456444 0.82 KMT2A (0.42) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL17204739 0.81 LMNA (0.44) GPR35MAPTALDH1A1KDM4EHPGD

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-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed