SCHEMBL16639300

SCHEMBL16639300

c1ccc(-c2cc(-c3ccccc3)c(N(c3ccc(-c4ccc5ccc6c(-c7ccc(N(c8cccnc8)c8c(-c9ccccc9)cc(-c9ccccc9)cc8-c8ccccc8)cc7)ccc7ccc4c5c76)cc3)c3cccnc3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.38
CYP11B1 P15538 8/20 0.35
CYP11B2 P19099 7/20 0.35
CYP17A1 P05093 4/20 0.35
TNF P01375 1/20 0.35
MAPK10 P53779 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
S1PR1 P21453 1/20 0.32
CKS1B P61024 1/20 0.32
SKP2 Q13309 1/20 0.32
FYN P06241 1/20 0.32
DHODH Q02127 1/20 0.32
LMNA P02545 1/20 0.32
PIK3CA P42336 2/20 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 0.89 TNF (0.40) CYP19A1CYP11B1CYP11B2CYP17A1TNF
SCHEMBL16639283 0.89 HSD17B1 (0.33) NPC1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL16639284 0.89 HSD17B1 (0.33) NPC1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL18382337 0.88 CYP11B1 (0.41) CYP19A1CYP11B1CYP11B2CYP17A1TNF
SCHEMBL18382438 0.88 CYP11B1 (0.41) CYP19A1CYP11B1CYP11B2CYP17A1TNF
SCHEMBL18191988 0.88 TNF (0.38) CYP19A1CYP11B1CYP11B2CYP17A1TNF
SCHEMBL16639630 0.88 HSD17B1 (0.33) KDM4ENPC1ALDH1A1MAPTFYN
SCHEMBL16639636 0.88 HSD17B1 (0.33) KDM4ENPC1ALDH1A1MAPTFYN
SCHEMBL16639306 0.88 CYP11B1 (0.37) CYP19A1CYP11B1CYP11B2CYP17A1TNF
SCHEMBL18382339 0.87 CYP11B1 (0.39) CYP19A1CYP11B1CYP11B2CYP17A1TNF

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-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