SCHEMBL1708368

SCHEMBL1708368

Cc1c(CNc2ccc3c(c2)OC[C@H]3C(C)C(=O)O)cccc1-n1c([C@H]2CCCO2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 3/20 0.33
PKM P14618 1/20 0.33
TRPV1 Q8NER1 2/20 0.31
MRGPRX2 Q96LB1 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
MDM2 Q00987 1/20 0.30
GAA P10253 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 0.92 MAPT (0.32) SMN1; SMN2MAPTTRPV1HTTGAA
SCHEMBL1708304 0.92 MAPT (0.32) LMNAMAPTUSP2PKMMEN1
SCHEMBL1708079 0.91 ALOX5AP (0.33) TRPV1MDM2
SCHEMBL1708237 0.91 APLNR (0.34) MAPTPKMMEN1KMT2AGAA
SCHEMBL1708420 0.90 L3MBTL1 (0.36) LMNAMAPTTSHRNPSR1MAPK1
SCHEMBL1708131 0.89 FFAR1 (0.38) LMNASMN1; SMN2MAPTTSHRNPSR1
SCHEMBL10292325 0.89 FFAR1 (0.38) LMNASMN1; SMN2MAPTTSHRNPSR1
SCHEMBL10291346 0.88 LMNA (0.39) LMNASMN1; SMN2MAPTTSHRNPSR1
SCHEMBL3794485 0.82 DHFR (0.33) USP2PKMPIK3CAPIK3CBPIK3CG
SCHEMBL10009394 0.80 FFAR1 (0.39) MAPT

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