SCHEMBL16639301

SCHEMBL16639301

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c(-c7ccc(N(c8ccc(-c9ccccc9)cc8-c8ccccc8)c8cccc9ccccc89)cc7)ccc7ccc4c5c76)cc3)c3cccc4ccccc34)c(-c3ccccc3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
CYP1A2 P05177 2/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
THRB P10828 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A9 P48067 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
TNF P01375 1/20 0.31
CDK4 P11802 2/20 0.30

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
SCHEMBL16639296 0.90 TNF (0.36) CA12CA1CA2CA9CYP1A2
SCHEMBL25685704 0.90 CA12 (0.40) CA12CA1CA2CA9HSD17B1
SCHEMBL22435764 0.90 CA12 (0.40) CA12CA1CA2CA9HSD17B1
SCHEMBL25000194 0.89 CA12 (0.37) CA12CA1CA2CA9HSD17B1
SCHEMBL22435761 0.89 CA12 (0.37) CA12CA1CA2CA9HSD17B1
SCHEMBL16639631 0.89 HSD17B1 (0.35) CA12CA1CA2CA9HSD17B1
SCHEMBL16639635 0.89 HSD17B1 (0.35) CA12CA1CA2CA9HSD17B1
SCHEMBL22435760 0.89 CA12 (0.39) CA12CA1CA2CA9HSD17B1
SCHEMBL16639309 0.88 CA12 (0.34) CA12CA1CA2CA9HSD17B1
SCHEMBL10028985 0.88 SIGMAR1 (0.38) CA12CA1CA2CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9293712-B2 Disubstituted pyrene compounds with amino group containing ortho aryl group and devices containing the same UNIVERSAL DISPLAY CORPORATION (US) 2016-03-22 US disclosed
US-9293712-B2 Disubstituted pyrene compounds with amino group containing ortho aryl group and devices containing the same UNIVERSAL DISPLAY CORPORATION (US) 2016-03-22 US disclosed
US-20150102290-A1 DISUBSTITUTED PYRENE COMPOUNDS WITH AMINO GROUP CONTAINING ORTHO ARYL GROUP UNIVERSAL DISPLAY CORPORATION (US) 2015-04-16 US disclosed
US-20150102290-A1 DISUBSTITUTED PYRENE COMPOUNDS WITH AMINO GROUP CONTAINING ORTHO ARYL GROUP UNIVERSAL DISPLAY CORPORATION (US) 2015-04-16 US disclosed
US-20150102321-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-16 US disclosed
US-20150102321-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-16 US disclosed