SCHEMBL8312895

SCHEMBL8312895

CCOC(=O)C1=CC(CF)(CF)Oc2ccc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
ABCC9 O60706 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL8312376 0.83 PTGS2 (0.38) ABCC9PTGS2CYP2C9KCNE1KCNQ1
SCHEMBL6269700 0.83 ALDH1A1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8314385 0.82 ABCC9 (0.36) ABCC9KCNE1KCNQ1
SCHEMBL8313997 0.80 MAPT (0.49) MAPTALDH1A1RECQLTDP1GLA
SCHEMBL6268793 0.79 ALDH1A1 (0.33) MAPTALDH1A1GLALMNA
SCHEMBL6269249 0.78 MLYCD (0.32) MAPTALDH1A1POLBGLALMNA
SCHEMBL8316142 0.77 KMT2A (0.35) MAPTALDH1A1POLBGLA
SCHEMBL8316738 0.76 ABCC9 (0.32) ABCC9
SCHEMBL8137883 0.69 PTGS2 (0.34) PTGS2KCNE1KCNQ1
SCHEMBL9299692 0.68 MAPT (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed