SCHEMBL9603210

SCHEMBL9603210

CN1C(=O)[C@@](C)(CC#N)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HCRTR1 O43613 1/20 0.45
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
CBX7 O95931 2/20 0.40
CDY1; CDY1B Q9Y6F8 2/20 0.40
MAPK1 P28482 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 3/20 0.40
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL8665499 1.00 MAPT (0.45) MAPTLMNAKDM4EHCRTR1RAD52
SCHEMBL28250863 0.80 MAPT (0.50) MAPTLMNAKDM4EHCRTR1RAD52
SCHEMBL29184031 0.79 HTR7 (0.49) MAPTLMNAKDM4EHCRTR1RAD52
SCHEMBL28496150 0.79 RAD52 (0.51) MAPTLMNAKDM4EHCRTR1RAD52
SCHEMBL21666068 0.78 MAPT (0.47) MAPTLMNAKDM4EHCRTR1RAD52
SCHEMBL9118900 0.77 NQO2 (0.46) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL12083228 0.77 NQO2 (0.46) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL8667995 0.77 OPRM1 (0.44) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL12083153 0.77 GAA (0.38) MAPTLMNARAD52ALDH1A1PKM
SCHEMBL28737050 0.76 MAPT (0.46) MAPTLMNAKDM4EHCRTR1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5274117-A Heating a racemic oxindole, a halogenated acetonitrile and a catalyst to form the alkylated oxindole HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1993-12-28 US disclosed
EP-0438796-A2 Process for the enantioselection synthesis of alkylated oxindoles used as intermediates in the preparation of physostigmine HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-07-31 EP disclosed