SCHEMBL8543010

SCHEMBL8543010

COc1ccc2c(=O)n(Cc3ccccc3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
TP53 P04637 3/20 0.58
LMNA P02545 3/20 0.58
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.49
THRB P10828 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PTGER3 P43115 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK8 P45983 1/20 0.46
PLA2G2A P14555 1/20 0.46

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
SCHEMBL31006514 0.90 ROCK2 (0.60) MAPTTP53LMNAROCK2ROCK1
SCHEMBL29283819 0.90 ROCK2 (0.60) MAPTTP53LMNAROCK2ROCK1
SCHEMBL29283839 0.88 ROCK2 (0.67) MAPTTP53LMNAROCK2ROCK1
SCHEMBL31006538 0.88 ROCK2 (0.67) MAPTTP53LMNAROCK2ROCK1
SCHEMBL3223243 0.83 MAPT (0.57) MAPTTP53LMNAKDM4EMEN1
SCHEMBL1571627 0.82 MAPT (0.52) MAPTTP53LMNAROCK2ROCK1
SCHEMBL1412098 0.82 LMNA (0.53) MAPTTP53LMNAROCK2ROCK1
SCHEMBL2156618 0.81 HTR2C (0.56) MAPTTP53LMNAPOLBALDH1A1
SCHEMBL29136037 0.81 ROCK2 (0.62) MAPTTP53LMNAROCK2ROCK1
SCHEMBL29283855 0.80 ICMT (0.51) LMNAROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526402-B1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA GEIGY AG (CH) 1998-01-21 EP disclosed
US-5350761-A Lipoxygenase inhibitors as antiinflammatory agents and antiallergens CIBA-GEIGY CORPORATION (US) 1994-09-27 US disclosed
US-5334600-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1994-08-02 US disclosed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0526402-A1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA-GEIGY AG (CH) 1993-02-03 EP disclosed