SCHEMBL12433951

SCHEMBL12433951

c1ccc(N(c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5cccnc5)cc4)c4ccc5cccc6ccc3c4c65)cc2)c2cccnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP17A1 P05093 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TNF P01375 1/20 0.38
CYP1A2 P05177 4/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CYP2A6 P11509 1/20 0.33
KCNA5 P22460 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B1 P14061 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B2 P37059 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL18382339 0.91 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1CYP17A1PTGDR2
SCHEMBL18382469 0.89 PIK3CA (0.38) CYP11B1CYP11B2CYP19A1CYP17A1PTGDR2
SCHEMBL12433947 0.88 CYP1A2 (0.40) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6
SCHEMBL18382466 0.87 PTGDR2 (0.45) CYP11B1CYP11B2CYP19A1CYP17A1PTGDR2
SCHEMBL18191988 0.87 TNF (0.38) CYP11B1CYP11B2CYP19A1CYP17A1PTGDR2
SCHEMBL18382465 0.86 KIF11 (0.36) CYP11B1CYP11B2CYP19A1CYP17A1PTGDR2
SCHEMBL18196800 0.86 TNF (0.40) CYP11B1CYP11B2CYP19A1CYP17A1PTGDR2
SCHEMBL18382468 0.84 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1CYP17A1PTGDR2
SCHEMBL15446841 0.83 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CYP17A1TNF
SCHEMBL15446824 0.83 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CYP17A1TNF

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10483488-B2 Organic light-emitting element TORAY INDUSTRIES, INC. (JP) 2019-11-19 US disclosed
US-20170018733-A1 ORGANIC LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2017-01-19 US disclosed
US-20170018733-A1 ORGANIC LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2017-01-19 US disclosed
US-7981523-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-07-19 US disclosed
US-7981523-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-07-19 US disclosed