SCHEMBL5078477

SCHEMBL5078477

C=CC(=O)Nc1ccc(C)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TGM2 P21980 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 3/20 0.49

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
SCHEMBL31162339 1.00 MEN1 (0.61) MEN1KMT2ATGM2SMN1; SMN2HTT
SCHEMBL18256266 0.87 TGM2 (0.59) MEN1KMT2ATGM2SMN1; SMN2MAPT
SCHEMBL21894170 0.86 TGM2 (0.58) MEN1KMT2ATGM2SMN1; SMN2ALDH1A1
SCHEMBL31162390 0.86 TGM2 (0.58) MEN1KMT2ATGM2SMN1; SMN2ALDH1A1
SCHEMBL19605689 0.84 MEN1 (0.62) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL15939027 0.83 TGM2 (0.54) MEN1KMT2ATGM2SMN1; SMN2ALDH1A1
SCHEMBL29004445 0.83 SMN1; SMN2 (0.61) MEN1KMT2ATGM2SMN1; SMN2ALDH1A1
SCHEMBL31596078 0.83 CYP1A2 (0.56) MEN1KMT2ATGM2ALDH1A1MAPT
SCHEMBL28220578 0.83 EGFR (0.56) MEN1KMT2ATGM2HTTALDH1A1
SCHEMBL17524715 0.83 TGM2 (0.54) MEN1KMT2ATGM2SMN1; SMN2ALDH1A1

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-20080177002-A1 Thermoplastic Resin Composition, Optical Film, And Process For Producing Film JSR CORPORATION (JP) 2008-07-24 US disclosed
EP-1837374-A1 THERMOPLASTIC RESIN COMPOSITION, OPTICAL FILM, AND PROCESS FOR PRODUCING FILM JSR Corporation (JP) 2007-09-26 EP disclosed