SCHEMBL4185086

SCHEMBL4185086

O=C1CCON1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
GRM2 Q14416 1/20 0.38
ALOX5 P09917 2/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL5378662 0.88 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL31300122 0.80 AKR1C3 (0.40) MEN1KMT2AGAAPTGS2AKR1C3
SCHEMBL849461 0.78 L3MBTL1 (0.57) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL22001663 0.76 ALDH1A1 (0.32) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11036457 0.75 KEAP1 (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL31300116 0.74 GRM2 (0.38) LMNAKDM4EMAPTGRM2ALOX12
SCHEMBL14860683 0.73 CRBN (0.49) ALDH1A1CYP1A2KDM4EGAACRBN
SCHEMBL5666187 0.72 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6360701 0.72 NPC1 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL18920701 0.71 ALDH1A1 (0.36) NPC1RAB9AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009096907-A1 AZIRIDINE SYNTHESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-08-06 WO disclosed
US-6100289-A ADMINISTERING AN ANALGESIC AMOUNT OF EXCITATORY AMINO ACID ANTAGONIST TO MAMMAL GLAXO WELLCOME SPA (IT) 2000-08-08 US disclosed
US-5962496-A CENTRAL NERVOUS SYSTEM DISORDERS GLAXO WELLCOME SPA (IT) 1999-10-05 US disclosed
US-5760059-A ANTAGONISTS OF EXCITATORY AMINO ACIDS, TREATMENT OF NEURODEGENERATIVE DISEASES GLAXO WELLCOME SPA (IT) 1998-06-02 US disclosed
EP-0723541-A1 INDOLE DERIVATIVES AS NMDA ANTAGONISTS GLAXO WELLCOME S.p.A. (IT) 1996-07-31 EP disclosed
WO-1995010517-A1 INDOLE DERIVATIVES AS NMDA ANTAGONISTS GLAXO WELLCOME S.P.A. (IT) 1995-04-20 WO disclosed