SCHEMBL1708304

SCHEMBL1708304

Cc1ccc2c(c1)nc([C@H]1CCCO1)n2-c1cccc(CNc2ccc3c(c2)OC[C@H]3C(C)C(=O)O)c1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.32
MCHR1 Q99705 2/20 0.32
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
P2RX3 P56373 1/20 0.32
APLNR P35414 3/20 0.31
DHFR P00374 1/20 0.31
TP53 P04637 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1708060 0.94 MAPT (0.32) MAPTMCHR1APLNRDHFRTP53
SCHEMBL1708237 0.94 APLNR (0.34) MAPTMCHR1APLNRDHFRBRD4
SCHEMBL1708420 0.93 L3MBTL1 (0.36) MAPTMCHR1LMNAAPLNRTP53
SCHEMBL1708368 0.92 LMNA (0.33) MAPTLMNAUSP2MEN1GAA
SCHEMBL1708079 0.90 ALOX5AP (0.33)
SCHEMBL10010762 0.88 FFAR1 (0.39) MAPT
SCHEMBL13046159 0.87 FFAR1 (0.35) MAPTUSP2TP53KDM4EMEN1
SCHEMBL10291236 0.82 FFAR1 (0.39) MAPT
SCHEMBL10009690 0.82 FFAR1 (0.39) MAPT
SCHEMBL10009394 0.82 FFAR1 (0.39) MAPTTP53

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed