SCHEMBL5145449

SCHEMBL5145449

CN(C)c1ccc(C=C(Br)C(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
KMT2A Q03164 9/20 0.67
ALDH1A1 P00352 7/20 0.67
LMNA P02545 2/20 0.67
GAA P10253 2/20 0.67
MEN1 O00255 5/20 0.63
RAB9A P51151 7/20 0.62
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 5/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
PKM P14618 2/20 0.50
CASP3 P42574 1/20 0.48
CYP1B1 Q16678 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
RELA Q04206 1/20 0.47
CHIA Q9BZP6 1/20 0.47

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
SCHEMBL981422 0.83 AKR1C1 (0.53) MAPTKMT2AALDH1A1LMNAGAA
SCHEMBL981421 0.83 AKR1C1 (0.53) MAPTKMT2AALDH1A1LMNAGAA
SCHEMBL25285472 0.80 CES2 (0.57) MAPTKMT2AALDH1A1LMNAGAA
SCHEMBL28221301 0.79 KMT2A (0.50) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL38654638 0.78 CES2 (0.62) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL7896356 0.78 ALDH1A1 (1.00) MAPTKMT2AALDH1A1LMNAGAA
SCHEMBL2072454 0.78 ALDH1A1 (1.00) MAPTKMT2AALDH1A1LMNAGAA
SCHEMBL2072452 0.78 ALDH1A1 (1.00) MAPTKMT2AALDH1A1LMNAGAA
SCHEMBL14964850 0.78 AKR1C1 (0.68) MAPTKMT2AALDH1A1LMNAGAA
SCHEMBL14964849 0.78 AKR1C1 (0.68) MAPTKMT2AALDH1A1LMNAGAA

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-1799771-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-06-27 EP disclosed
WO-2007001407-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-01-04 WO disclosed