SCHEMBL13342076

SCHEMBL13342076

c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4cc2-3)c2ccc3ccccc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL24236425 0.97 KDM4E (0.36) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL13137302 0.94 ALDH1A1 (0.34) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL17461753 0.94 ALDH1A1 (0.34) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL24371889 0.94 KDM4E (0.38) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL23597989 0.93 KDM4E (0.40) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL23597988 0.92 KDM4E (0.39) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL23597916 0.92 KDM4E (0.39) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL22742683 0.92 KDM4E (0.38) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL23598093 0.90 KDM4E (0.41) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL23597894 0.90 KDM4E (0.41) KDM4EMAPTALDH1A1CYP1A2CYP3A4

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
WO-2010062107-A1 ORGANIC ELECTROLUMINSCENT DEVICE USING ELECTROLUMINESCENT COMPOUNDS GRACEL DISPLAY INC. (KR) 2010-06-03 — — WO disclosed
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