SCHEMBL9213702

SCHEMBL9213702

CCNC1(c2ccccc2Cl)C(=O)Nc2c(Cc3ccc(C(=O)NC(C)(C)C)cc3)cc(Cl)cc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.34
SNCA P37840 2/20 0.34
IP6K1 Q92551 1/20 0.34
AR P10275 1/20 0.33
ANO1 Q5XXA6 3/20 0.33
CBX7 O95931 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDYL Q9Y232 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 0.32
IMPDH2 P12268 1/20 0.32
GHSR Q92847 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
NLRP1 Q9C000 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL9219764 0.85 AR (0.36) SIRT2SNCAIP6K1ARANO1
SCHEMBL9212713 0.84 SIRT2 (0.35) SIRT2SNCAIP6K1ARANO1
SCHEMBL9212102 0.77 ROCK2 (0.36) IP6K1ANO1
SCHEMBL9212183 0.76 BRD4 (0.33) IP6K1ANO1
SCHEMBL7466211 0.75 HDAC1 (0.45) HDAC1HDAC6
SCHEMBL9217957 0.73 MAPK8 (0.37) CBX7CDYL2CDYLCDY1; CDY1BGRIN1
SCHEMBL8593769 0.70 MEN1 (0.34) ANO1GRIN1GRIN2AMAPK1
SCHEMBL9220670 0.68 ROCK2 (0.36) SIRT2IP6K1IMPDH2LMNA
SCHEMBL7470112 0.68 HDAC1 (0.43) DGAT2HDAC1HDAC6
SCHEMBL7477811 0.68 HDAC1 (0.43) DGAT2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed