SCHEMBL2372943

SCHEMBL2372943

CCOc1ccc2c(c1)C(=O)C(=O)N2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
TGM2 P21980 6/20 0.67
MAOB P27338 8/20 0.64
MAOA P21397 7/20 0.64
CES1 P23141 4/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL5328390 0.87 TGM2 (0.67) ALDH1A1TGM2MAOBMAOACES1
5-Methoxyisatin SCHEMBL29506298 0.81 ALDH1A1 (1.00) ALDH1A1TGM2MAOBMAOACES1
5-Methoxyisatin SCHEMBL21602 0.81 ALDH1A1 (1.00) ALDH1A1TGM2MAOBMAOACES1
SCHEMBL1027756 0.80 TGM2 (1.00) ALDH1A1TGM2MAOBMAOACES1
5-Methoxyisatin SCHEMBL3935863 0.79 ALDH1A1 (0.96) ALDH1A1TGM2MAOBMAOACES1
SCHEMBL7456008 0.79 ALDH1A1 (0.51) ALDH1A1TGM2MAOBMAOAMAPT
SCHEMBL9728150 0.78 MAOB (1.00) ALDH1A1TGM2MAOBMAOACES1
SCHEMBL11411139 0.77 MAOA (0.61) ALDH1A1MAOBMAOAMAPTSMN1; SMN2
SCHEMBL31419943 0.76 MAOB (1.00) ALDH1A1TGM2MAOBMAOACES1
SCHEMBL31419946 0.76 MAOB (0.76) ALDH1A1TGM2MAOBMAOACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384769-B Synthetic method of R-configuration 3-substituted-3-hydroxy oxindole compound 陕西师范大学 2020-12-22 CN claimed
CN-109384769-B Synthetic method of R-configuration 3-substituted-3-hydroxy oxindole compound 陕西师范大学 2020-12-22 CN disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2007132280-A1 ISATIN AND ITS DERIVATIVES FOR USE AS A MEDICAMENT Szegedi Tudományegyetem (HU) 2007-11-22 WO disclosed
EP-0721942-B1 TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KK (JP) 2002-06-05 EP disclosed
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed
US-5646283-A IMMUNOSUPPRESSANTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-08 US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
EP-0721942-A1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-07-17 EP disclosed
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
WO-1995018105-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) 1995-07-06 WO disclosed