SCHEMBL3663896

SCHEMBL3663896

COc1ccccc1-c1ccccc1N=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
MAPT P10636 3/20 0.47
NFE2L2 Q16236 2/20 0.42
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 7/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
APP P05067 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP1B1 Q16678 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL1643202 0.86 ALDH1A1 (0.48) KDM4EMAPTNFE2L2TRPA1ALDH1A1
SCHEMBL1643205 0.86 ALDH1A1 (0.48) KDM4EMAPTNFE2L2TRPA1ALDH1A1
SCHEMBL28610776 0.86 ALDH1A1 (0.48) KDM4EMAPTNFE2L2TRPA1ALDH1A1
SCHEMBL10714107 0.84 HPGD (0.53) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL27984216 0.81 NFE2L2 (0.54) KDM4EMAPTNFE2L2TRPA1ALDH1A1
SCHEMBL30633421 0.78 SMN1; SMN2 (0.41) KDM4EMAPTNFE2L2TRPA1ALDH1A1
SCHEMBL2547532 0.75 MAPT (0.42) KDM4EMAPTNFE2L2TRPA1ALDH1A1
SCHEMBL3272348 0.75 GAA (0.57) KDM4EMAPTTRPA1ALDH1A1HPGD
SCHEMBL10476763 0.74 ALDH1A1 (0.49) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL2547530 0.74 KDM4E (0.47) KDM4EMAPTNFE2L2TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231760-A1 SMALL SCALE FUNCTIONAL MATERIALS Dow Global Technologies Inc. (US) 2010-09-29 EP disclosed
EP-2225604-A1 PHASE COMPENSATION FILM COMPRISING POLYMER NANOPARTICLES IMBIBED WITH LIQUID CRYSTAL MATERIAL Dow Global Technologies Inc. (US) 2010-09-08 EP disclosed
WO-2009085083-A1 PHASE COMPENSATION FILM COMPRISING POLYMER NANOPARTICLES IMBIBED WITH LIQUID CRYSTAL MATERIAL DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO disclosed
WO-2009085082-A1 SMALL SCALE FUNCTIONAL MATERIALS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO disclosed