SCHEMBL8318784

SCHEMBL8318784

O=C(O)C1=CC(CF)(CF)Oc2ccc(Br)cc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.32
PBRM1 Q86U86 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 1/20 0.32
AKR1B1 P15121 1/20 0.32
PIM1 P11309 1/20 0.31
GLA P06280 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31
PPARG P37231 2/20 0.30
RXFP1 Q9HBX9 2/20 0.30
NCOR2 Q9Y618 2/20 0.30
PRNP P04156 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL8317275 0.84 NPSR1 (0.34) NPSR1KDM4EMAPT
SCHEMBL8313504 0.78
SCHEMBL1977431 0.67 MAPT (0.43) PBRM1KDM4EMAPTGLACA1
SCHEMBL27652143 0.62 KDM4E (0.48) KDM4EGLAPTGDR2SRD5A1SRD5A2
SCHEMBL23362956 0.61 CA1 (0.43) NPSR1PBRM1MAPTCA1CA2
SCHEMBL29804089 0.61 CA1 (0.43) NPSR1PBRM1MAPTCA1CA2
SCHEMBL16291672 0.59 HDAC3 (0.51) KDM4ECA1CA2CA7CA9
SCHEMBL20213839 0.59 KDM4E (0.53) KDM4EMAPTPIM1GLAPTGDR2
SCHEMBL20587128 0.58 MAPT (0.47) PBRM1KDM4EMAPTGLACA1
SCHEMBL1979356 0.58 KDM4E (0.59) PBRM1KDM4EMAPTCA1CA2

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