SCHEMBL7745040

SCHEMBL7745040

COC(=O)c1n[nH]c2cccc(Cc3ccccc3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ STAT3 P40763 1/20 0.55
▸ RNASEH1 O60930 1/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ NPC1 O15118 2/20 0.43

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
SCHEMBL3412438 0.87 MAPK8 (0.46) KDM4EHIF1ASTAT3ALDH1A1MAPT
SCHEMBL1899541 0.85 CYP1A2 (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5493286 0.80 KDM4E (0.41) KDM4EHIF1ASTAT3ALDH1A1MAPT
SCHEMBL904609 0.79 CYP1A2 (0.48) KDM4ERNASEH1ALDH1A1CYP1A2CYP3A4
SCHEMBL998544 0.79 KDM4E (0.45) KDM4EHIF1ASTAT3ALDH1A1MAPT
SCHEMBL998168 0.79 KDM4E (0.45) KDM4EHIF1ASTAT3ALDH1A1MAPT
SCHEMBL998780 0.77 KDM4E (0.43) KDM4EHIF1ASTAT3MAPTCYP1A2
SCHEMBL997498 0.77 KDM4E (0.43) KDM4EHIF1ASTAT3ALDH1A1MAPT
SCHEMBL28503864 0.77 KDM4E (0.57) KDM4EHIF1ASTAT3CDC7ALDH1A1
SCHEMBL2599805 0.76 KDM4E (0.60) KDM4EHIF1ASTAT3CDC7MAPT

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-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 — — EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 — — WO disclosed
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