SCHEMBL12075221

SCHEMBL12075221

COC(=O)Cc1ccccc1N(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TSHR P16473 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL14354577 0.82 HPGD (0.43) KDM4ESMN1; SMN2ALDH1A1GAATSHR
SCHEMBL6639953 0.81 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL7339780 0.80 NPC1 (0.55) KDM4ESMN1; SMN2ALDH1A1GLATP53
SCHEMBL1958849 0.79 AKR1B1 (0.55) KDM4EALDH1A1TSHRPOLBLMNA
SCHEMBL1554320 0.78 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL31126896 0.77 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL11972779 0.77 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL7895277 0.77 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL30306601 0.77 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL5278957 0.76 OPRK1 (0.46) KDM4ESMN1; SMN2ALDH1A1TSHRTP53

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-2011055932-A9 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME 덕산하이메탈(주) (KR) 2011-09-01 — — WO disclosed
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