SCHEMBL17973395

SCHEMBL17973395

C/C(C/C(=N/O)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1)=N\O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
KIF11 P52732 3/20 0.38
ALOX12 P18054 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ESRRG P62508 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL17973385 0.81 HDAC8 (0.50) RAB9AMAPTNPC1ALDH1A1POLB
SCHEMBL17973375 0.80 GSK3B (0.41) HDAC1MAPTALDH1A1MAPK1POLB
SCHEMBL17973466 0.76 MMP3 (0.42) MAPTKIF11ALDH1A1LMNAHSD17B10
SCHEMBL4836625 0.75 GAA (0.47) HDAC1RAB9AMAPTNPC1ALDH1A1
SCHEMBL4836629 0.75 GAA (0.47) HDAC1RAB9AMAPTNPC1ALDH1A1
SCHEMBL7865399 0.75 LMNA (0.50) RAB9AEPHX2NR1H4ALDH1A1LMNA
SCHEMBL7865400 0.75 LMNA (0.50) RAB9AEPHX2NR1H4ALDH1A1LMNA
SCHEMBL17973372 0.74 MAPK1 (0.47) MAPTNPC1ALOX12ALDH1A1LMNA
SCHEMBL17973388 0.74 HDAC1 (0.44) HDAC1RAB9AMAPTNPC1KIF11
SCHEMBL28905438 0.72 KCNK9 (0.46) HDAC1RAB9AMAPTNPC1NR1H4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016122160-A1 NOVEL DIOXIMESTER COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 주식회사 삼양사 2016-08-04 WO disclosed