SCHEMBL5568778

SCHEMBL5568778

Cc1ccc(-c2c(N)ccc(C=Cc3ccccc3)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FGF23 Q9GZV9 1/20 0.40
CYP19A1 P11511 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CYP1B1 Q16678 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TRPA1 O75762 2/20 0.37
CHAT P28329 1/20 0.36
DHFR P00374 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
SCHEMBL2569625 0.89 MAOB (0.45) NFE2L2SMN1; SMN2HPGDNPC1RAB9A
Ammonia Solution, Strong SCHEMBL528776 0.87 MAOB (0.44) NFE2L2SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL11681169 0.81 CYP19A1 (0.55) NFE2L2NPC1RAB9AMAPTTDP1
SCHEMBL27835064 0.81 CYP19A1 (0.55) NFE2L2NPC1RAB9AMAPTTDP1
SCHEMBL28035372 0.78 ALDH1A1 (0.39) NFE2L2SMN1; SMN2NPC1RAB9ACYP19A1
SCHEMBL4248242 0.75 TDP1 (0.48) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL29107949 0.75 ALDH1A1 (0.48) NFE2L2SMN1; SMN2HPGDTDP1FGF23
SCHEMBL28503270 0.75 ALDH1A1 (0.48) NFE2L2SMN1; SMN2HPGDCYP1A2TDP1
SCHEMBL27770212 0.75 CYP2A6 (0.39) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL27589735 0.73 CYP19A1 (0.47) NFE2L2HPGDCYP1A2CYP19A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107004772-A Organic el element and display device 索尼公司 2017-08-01 CN disclosed
CN-106905766-A Ink composite 精工爱普生株式会社 2017-06-30 CN disclosed
US-20070208162-A1 Electroluminescent Polymer and Organic Electroluminescent Device SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2007-09-06 US disclosed