SCHEMBL16639296

SCHEMBL16639296

c1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccc5c(-c6ccc(N(c7ccccc7-c7ccccc7)c7cccc8ccccc78)cc6)ccc6ccc3c4c65)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.36
CYP1A2 P05177 3/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
PPARG P37231 7/20 0.33
PPARA Q07869 7/20 0.33
SIGMAR1 Q99720 3/20 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

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
SCHEMBL18174843 0.92 CYP1A2 (0.40) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL16641958 0.92 TNF (0.32) TNFCDK4CCND1
SCHEMBL12433945 0.91 SIGMAR1 (0.38) TNFCYP1A2ALDH1A1THRBHPGD
SCHEMBL12433897 0.91 SIGMAR1 (0.38) TNFCYP1A2ALDH1A1THRBHPGD
SCHEMBL16639301 0.90 CA12 (0.36) TNFCYP1A2ALDH1A1THRBHPGD
SCHEMBL17263999 0.90 SIGMAR1 (0.38) TNFCYP1A2ALDH1A1THRBHPGD
SCHEMBL10028985 0.90 SIGMAR1 (0.38) TNFCYP1A2ALDH1A1THRBHPGD
SCHEMBL17263970 0.90 SIGMAR1 (0.38) TNFCYP1A2ALDH1A1THRBHPGD
SCHEMBL16639340 0.89 CYP1A2 (0.35) TNFCYP1A2ALDH1A1THRBHPGD
SCHEMBL18174836 0.89 CYP1A2 (0.38) TNFCYP1A2ALDH1A1THRBHPGD

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-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