SCHEMBL14178696

SCHEMBL14178696

COc1ccc(CNc2cc3c(cc2C)OC(C)(CCc2ccccc2)C=C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
ACP1 P24666 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
BCHE P06276 1/20 0.36
EGFR P00533 1/20 0.36
IGF1R P08069 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL14178706 0.92 MEN1 (0.40) MEN1KMT2AHIF1AEPAS1MAPT
SCHEMBL14178710 0.85 MEN1 (0.40) MEN1KMT2AHIF1AEPAS1MAPT
SCHEMBL14178676 0.84 HIF1A (0.51) MEN1KMT2AHIF1AEPAS1NPC1
SCHEMBL14178675 0.84 HIF1A (0.51) MEN1KMT2AHIF1AEPAS1NPC1
SCHEMBL14178686 0.83 MEN1 (0.41) MEN1KMT2AHIF1AEPAS1MAPT
SCHEMBL14178692 0.79 HIF1A (0.50) MEN1KMT2AHIF1AEPAS1MAPT
SCHEMBL14178711 0.75 CRHR1 (0.38) ACP1MEN1KMT2AHIF1AEPAS1
SCHEMBL14178672 0.74 HIF1A (0.47) MEN1KMT2AHIF1AEPAS1LMNA
SCHEMBL14178681 0.74 HIF1A (0.49) MEN1KMT2AHIF1AEPAS1NPC1
SCHEMBL4799196 0.74 PTGS1 (0.38) HIF1AEPAS1L3MBTL1

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
US-7368575-B2 6-alkylamino-2,2′-disubstituted-7,8-disubstituted-2H-1-benzopyran derivatives as 5-lipoxygenase inhibitor KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-06 US disclosed
US-7368575-B2 6-alkylamino-2,2′-disubstituted-7,8-disubstituted-2H-1-benzopyran derivatives as 5-lipoxygenase inhibitor KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-06 US disclosed