SCHEMBL16639306

SCHEMBL16639306

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c(-c7ccc(N(c8cccnc8)c8ccc(-c9ccccc9)cc8-c8ccccc8)cc7)ccc7ccc4c5c76)cc3)c3cccnc3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.37
CYP11B2 P19099 8/20 0.37
CYP19A1 P11511 5/20 0.37
CYP17A1 P05093 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
CYP3A4 P08684 4/20 0.34
TNF P01375 1/20 0.34
PIK3CA P42336 2/20 0.34
MAPK10 P53779 1/20 0.33
IMPDH2 P12268 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B1 P14061 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B2 P37059 1/20 0.32
ERN1 O75460 1/20 0.32
PDK2 Q15119 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
SCHEMBL16639316 0.90 TNF (0.39) CYP11B1CYP11B2CYP19A1CYP17A1PTGDR2
SCHEMBL16639276 0.89 HSD17B1 (0.35) PIK3CAIMPDH2HSD17B1HSD17B2
SCHEMBL16639281 0.89 HSD17B1 (0.35) PIK3CAIMPDH2HSD17B1HSD17B2
SCHEMBL18196800 0.88 TNF (0.40) CYP11B1CYP11B2CYP19A1CYP17A1PTGDR2
SCHEMBL16639635 0.88 HSD17B1 (0.35) PIK3CAIMPDH2HSD17B1HSD17B2
SCHEMBL16639631 0.88 HSD17B1 (0.35) PIK3CAIMPDH2HSD17B1HSD17B2
SCHEMBL16639300 0.88 CYP19A1 (0.38) CYP11B1CYP11B2CYP19A1CYP17A1PTGDR2
SCHEMBL18382438 0.87 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL18382337 0.87 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL16639321 0.87 HSD17B1 (0.33) PIK3CAHSD17B1HSD17B2

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