SCHEMBL16639340

SCHEMBL16639340

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)c3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
TNF P01375 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 2/20 0.33
PDE6D O43924 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
THRB P10828 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33

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
SCHEMBL16639338 0.96 RXRA (0.31) TNFL3MBTL1PDE6DCDK4CCND1
SCHEMBL16639634 0.96 RXRA (0.31) TNFL3MBTL1PDE6DCDK4CCND1
SCHEMBL16641952 0.96 RXRA (0.31) TNFL3MBTL1PDE6DCDK4CCND1
SCHEMBL16639279 0.93 RXRA (0.31) CYP1A2TNFALDH1A1L3MBTL1CYP3A4
SCHEMBL16639278 0.93 RXRA (0.31) CYP1A2TNFALDH1A1L3MBTL1CYP3A4
SCHEMBL16645473 0.92 CDK4 (0.32) TNFCDK4CCND1
SCHEMBL16641953 0.92 CA12 (0.34) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16641958 0.91 TNF (0.32) TNFCDK4CCND1CRHR1
SCHEMBL16639330 0.90 RXRA (0.32)
SCHEMBL18174838 0.90 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE

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-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
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