SCHEMBL14178686

SCHEMBL14178686

CCC1(C)C=Cc2cc(NCc3ccccc3)c(C)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
HIF1A Q16665 3/20 0.38
EPAS1 Q99814 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
XDH P47989 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOS2 P35228 1/20 0.35

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
SCHEMBL14178710 0.91 MEN1 (0.40) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL14178706 0.91 MEN1 (0.40) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL14178692 0.88 HIF1A (0.50) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL14178685 0.86 LMNA (0.34) MEN1MAPTCRHBPKMT2ACRHR2
SCHEMBL14178696 0.83 NCF1 (0.39) MEN1MAPTKMT2AHIF1AEPAS1
SCHEMBL14180218 0.81 HIF1A (0.40) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL14178674 0.81 HIF1A (0.48) MEN1MAPTKMT2AHIF1AEPAS1
SCHEMBL14178711 0.77 CRHR1 (0.38) MEN1MAPTKMT2AHIF1AEPAS1
SCHEMBL2557901 0.77 HIF1A (0.52) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL14178684 0.73 HIF1A (0.43) MAPTHIF1AEPAS1HSD17B10

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