SCHEMBL16639309

SCHEMBL16639309

c1ccc(-c2cc(-c3ccccc3)c(N(c3ccc(-c4ccc5ccc6c(-c7ccc(N(c8c(-c9ccccc9)cc(-c9ccccc9)cc8-c8ccccc8)c8cccc9ccccc89)cc7)ccc7ccc4c5c76)cc3)c3cccc4ccccc34)c(-c3ccccc3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
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
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
THRB P10828 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
TNF P01375 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 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
SCHEMBL16639301 0.88 CA12 (0.36) CA12CA1CA2CA9CYP1A2
SCHEMBL16639630 0.87 HSD17B1 (0.33) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16639636 0.87 HSD17B1 (0.33) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16639284 0.86 HSD17B1 (0.33) HSD17B1HSD17B2THRBMAPTCDK4
SCHEMBL12433897 0.86 SIGMAR1 (0.38) CA12CA1CA2CA9CYP1A2
SCHEMBL12433945 0.86 SIGMAR1 (0.38) CA12CA1CA2CA9CYP1A2
SCHEMBL16639283 0.86 HSD17B1 (0.33) HSD17B1HSD17B2THRBMAPTCDK4
SCHEMBL16639322 0.85
SCHEMBL16639320 0.85
SCHEMBL16639296 0.85 TNF (0.36) 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-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
US-20150102290-A1 DISUBSTITUTED PYRENE COMPOUNDS WITH AMINO GROUP CONTAINING ORTHO ARYL GROUP UNIVERSAL DISPLAY CORPORATION (US) 2015-04-16 US disclosed