SCHEMBL8797308

SCHEMBL8797308

CCOC(OCC)C1(C)C=C(c2ccccn2)c2cc(C#N)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
TGFBR1 P36897 2/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 11/20 0.33
ABCC9 O60706 2/20 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
SCHEMBL8797518 0.89 METAP2 (0.35) FFAR1METAP2METAP1TGFBR1KCNH2
SCHEMBL8798213 0.82 MAPT (0.36) METAP1KDM4EMEN1HTTKMT2A
SCHEMBL9527675 0.81 METAP2 (0.37) FFAR1METAP2METAP1TGFBR1KCNH2
SCHEMBL8332841 0.81 METAP2 (0.40) METAP2METAP1TGFBR1MAPK13MAPK12
SCHEMBL8798384 0.81 CBFB (0.37) KCNH2GRM5
SCHEMBL8797575 0.80 ABCB1 (0.34)
SCHEMBL8797621 0.77 BRD4 (0.40) KDM4EMEN1KMT2A
SCHEMBL8313790 0.77 TGFBR1 (0.39) METAP2METAP1TGFBR1MAPK13MAPK12
SCHEMBL8123176 0.76 GRM5 (0.39) METAP2METAP1TGFBR1MAPK13MAPK12
SCHEMBL8798410 0.71 LRRK2 (0.34) ABCC9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514942-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1997-03-05 EP disclosed
US-5493029-A USEFUL IN TREATING ASTHMA AND HYPERTENSION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-02-20 US disclosed
US-5300511-A Spiro-benzopyran derivatives and useful for treating asthma and hypertension KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-04-05 US disclosed
EP-0514942-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP disclosed