SCHEMBL6962873

SCHEMBL6962873

c1cc2c(c(-c3ccncc3)c1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CHEK2 O96017 1/20 0.46
RIPK3 Q9Y572 2/20 0.44
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
ADRA2A P08913 4/20 0.42
ADRA2B P18089 4/20 0.42
ADRA2C P18825 3/20 0.42
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
ADRB1 P08588 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PIK3CD O00329 1/20 0.38
LMNA P02545 2/20 0.36
CRHBP P24387 2/20 0.36

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
SCHEMBL4347210 0.86 RIPK3 (0.56) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL8714623 0.83 ITGB2 (0.50) CHEK2STIM1ORAI1ADRA2AADRA2B
SCHEMBL3072409 0.80 ITGB2 (0.55) CYP3A4CHEK2ITGB2ICAM1ITGAL
SCHEMBL1772593 0.79 CHEK2 (0.46) CHEK2STIM1ORAI1ADRA2AADRA2B
SCHEMBL30222517 0.79 CHEK2 (0.46) CHEK2STIM1ORAI1ADRA2AADRA2B
SCHEMBL21207009 0.79 CHEK2 (0.46) CHEK2STIM1ORAI1ADRA2AADRA2B
SCHEMBL31401569 0.77 PARP1 (0.44) PIK3CDCYP11B1CYP11B2
SCHEMBL26658610 0.72 CHEK2 (0.44) ROCK2ROCK1CYP3A4CYP2C9CHEK2
SCHEMBL29533163 0.72 CHEK2 (0.44) ROCK2ROCK1CYP3A4CYP2C9CHEK2
SCHEMBL4835059 0.72 CHEK2 (0.42) CHEK2STIM1ORAI1ITGB2ICAM1

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-0906912-B1 Indanol derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-08 EP disclosed
US-6060487-A Indanol compounds ADIR ET COMPAGNIE (FR) 2000-05-09 US disclosed
US-5958927-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1999-09-28 US disclosed
CN-1218051-A New 2,3-dioxide, indanol compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-06-02 CN disclosed
EP-0906912-A1 Indanol derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-04-07 EP disclosed