SCHEMBL28813263

SCHEMBL28813263

c1ccc2sc(-c3ccc4cc(-c5cc6ccccc6s5)ccc4c3)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.67
HSD17B1 P14061 1/20 0.59
HSD17B2 P37059 1/20 0.59
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
ERN1 O75460 2/20 0.57
ESR1 P03372 7/20 0.50
ESR2 Q92731 7/20 0.50
NQO1 P15559 1/20 0.49
NQO2 P16083 1/20 0.49
HDAC2 Q92769 1/20 0.48
TNFRSF1A P19438 1/20 0.43
ACLY P53396 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL5384482 0.98 APP (0.65) APPHSD17B1HSD17B2CA1CA2
SCHEMBL11959810 0.96 APP (0.62) APPHSD17B1HSD17B2CA1CA2
SCHEMBL31589824 0.89 APP (0.56) APPHSD17B1HSD17B2CA1CA2
SCHEMBL5429670 0.89 APP (0.75) APPHSD17B1HSD17B2CA1CA2
SCHEMBL10045302 0.89 APP (0.56) APPHSD17B1HSD17B2CA1CA2
SCHEMBL13477886 0.89 APP (0.56) APPHSD17B1HSD17B2CA1CA2
SCHEMBL27159530 0.89 APP (0.81) APPHSD17B1HSD17B2CA1CA2
SCHEMBL32677328 0.89 APP (0.81) APPHSD17B1HSD17B2CA1CA2
SCHEMBL12405207 0.89 APP (0.59) APPHSD17B1HSD17B2CA1CA2
SCHEMBL14077281 0.88 APP (0.54) APPHSD17B1HSD17B2CA1CA2

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-104119311-B A kind of 2,6-diaryl naphthalene compounds and preparation method thereof HANGZHOU NORMAL UNIVERSITY (CN) 2016-02-03 CN claimed
CN-104119311-B A kind of 2,6-diaryl naphthalene compounds and preparation method thereof HANGZHOU NORMAL UNIVERSITY (CN) 2016-02-03 CN disclosed
CN-104119311-A 2,6-diaryl naphthalene compound and preparation method thereof UNIV HANGZHOU NORMAL 2014-10-29 CN disclosed