SCHEMBL8315630

SCHEMBL8315630

O=C1CC2(CCSCC2)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ATM Q13315 2/20 0.47
HTT P42858 1/20 0.47
CA1 P00915 9/20 0.42
CA2 P00918 9/20 0.42
CA7 P43166 9/20 0.42
CA9 Q16790 9/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL617317 0.88 KDM4E (0.58) KDM4EATMHTTCA1CA2
SCHEMBL11103515 0.87 KDM4E (0.63) KDM4EATMHTTCA1CA2
SCHEMBL13339672 0.85 HDAC3 (0.53) KDM4EATMHTTCA1CA2
Hydrochloric Acid SCHEMBL3494948 0.84 HDAC3 (0.52) KDM4EATMHTTCA1CA2
SCHEMBL8566926 0.82 HDAC3 (0.53) KDM4EATMHTTCA1CA2
SCHEMBL10265984 0.79 KDM4E (0.52) KDM4EATMHTTCA1CA2
SCHEMBL9818795 0.78 MAPT (0.61) KDM4ECA1CA2CA7CA9
SCHEMBL8138279 0.76 KDM4E (0.47) KDM4EATMHTTCA1CA2
SCHEMBL261598 0.76 HDAC3 (0.67) KMT2ATDP1
SCHEMBL31329843 0.75 ATM (0.59) KDM4EATMHTT

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