SCHEMBL21203391

SCHEMBL21203391

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5cccc(-c6ccc(C78CC9C[C@H](C7)C[C@H](C9)C8)cc6)c5c4)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CNR2 P34972 7/20 0.33
▸ CNR1 P21554 5/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NR2E1 Q9Y466 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL21207221 1.00 CA12 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL19089905 0.92 CA12 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL19089825 0.92 CA12 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL19090019 0.91 CA12 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL21203528 0.91 HSD17B1 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL21207204 0.91 CA12 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL19089886 0.90 CA12 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL19089995 0.89 CA12 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL21038406 0.89 SLC6A2 (0.40) CA12CA1CA2CA9CNR2
SCHEMBL23691175 0.88 ALDH1A1 (0.40) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3518303-B1 N-(4-(8-(PHENYL)NAPHTHALEN-2-YL)PHENYL)-N,N'-DI(PHENYL)-AMINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC ELECTROLUMINESCENCE DEVICES SAMSUNG DISPLAY CO LTD (KR) 2021-10-06 — — EP disclosed
EP-3518303-A1 N-(4-(8-(PHENYL)NAPHTHALEN-2-YL)PHENYL)-N,N'-DI(PHENYL)-AMINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC ELECTROLUMINESCENCE DEVICES Samsung Display Co., Ltd. (KR) 2019-07-31 — — EP disclosed
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