SCHEMBL17012663

SCHEMBL17012663

C1=C(c2ccc(Nc3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c2)C=C(c2ccccc2Nc2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ AKR1C3 P42330 2/20 0.34
▸ ALK Q9UM73 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL17468618 0.84 — —
SCHEMBL17573728 0.79 SIRT2 (0.49) SIRT2SIRT1AKR1C3ALKKDM4E
SCHEMBL17547221 0.78 SIRT2 (0.47) SIRT2SIRT1AKR1C3ALKKDM4E
SCHEMBL18767302 0.78 SIRT2 (0.47) SIRT2SIRT1AKR1C3ALKKDM4E
SCHEMBL17779640 0.78 SIRT2 (0.48) SIRT2SIRT1AKR1C3ALKKDM4E
SCHEMBL17661491 0.78 SIRT2 (0.50) SIRT2SIRT1AKR1C3ALKKDM4E
SCHEMBL17547175 0.77 SIRT2 (0.48) SIRT2SIRT1AKR1C3ALKKDM4E
SCHEMBL17464108 0.77 SIRT2 (0.51) SIRT2SIRT1AKR1C3ALKKDM4E
SCHEMBL15713487 0.77 SIRT2 (0.51) SIRT2SIRT1AKR1C3ALKKDM4E
SCHEMBL17573972 0.76 PLA2G2A (0.34) MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907815-A2 Condensed cyclic compound and organic light-emitting device including the same Samsung Electronics Co., Ltd (KR) 2015-08-19 — — EP disclosed
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