SCHEMBL16639316

SCHEMBL16639316

c1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccc5c(-c6ccc(N(c7cccnc7)c7ccccc7-c7ccccc7)cc6)ccc6ccc3c4c65)cc2)c2cccnc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
CYP11B1 P15538 7/20 0.35
CYP11B2 P19099 6/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
CYP17A1 P05093 4/20 0.34
CYP19A1 P11511 3/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KCNA5 P22460 2/20 0.33
PTGS2 P35354 1/20 0.33
KCNH2 Q12809 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL18196800 0.91 TNF (0.40) TNFPTGDR2CYP11B1CYP11B2ALDH1A1
SCHEMBL18191988 0.90 TNF (0.38) TNFPTGDR2CYP11B1CYP11B2ALDH1A1
SCHEMBL16639306 0.90 CYP11B1 (0.37) TNFPTGDR2CYP11B1CYP11B2CYP17A1
SCHEMBL16639278 0.89 RXRA (0.31) TNFALDH1A1MAPTKDM4ECYP3A4
SCHEMBL16639279 0.89 RXRA (0.31) TNFALDH1A1MAPTKDM4ECYP3A4
SCHEMBL18382438 0.88 CYP11B1 (0.41) TNFCYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL18382337 0.88 CYP11B1 (0.41) TNFCYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL18382339 0.87 CYP11B1 (0.39) TNFPTGDR2CYP11B1CYP11B2ALDH1A1
SCHEMBL16639338 0.86 RXRA (0.31) TNFMAPTNPC1LMNAHTT
SCHEMBL16639634 0.86 RXRA (0.31) TNFMAPTNPC1LMNAHTT

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-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