SCHEMBL2168107

SCHEMBL2168107

NC(=O)CC(C(=O)O)N1Cc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMO O15229 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TNF P01375 1/20 0.37
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL2168338 0.91 CYP1A2 (0.43) MAPTALOX15SMN1; SMN2KDM4EKMO
SCHEMBL2169199 0.89 KDM4E (0.42) MAPTALOX15SMN1; SMN2KDM4EALDH1A1
SCHEMBL2170758 0.86 CYP1A2 (0.39) MAPTALOX15SMN1; SMN2ALDH1A1MEN1
SCHEMBL2169248 0.84 KDM4E (0.48) MAPTALOX15SMN1; SMN2KDM4EALDH1A1
SCHEMBL7858314 0.84 KDM4E (0.48) MAPTALOX15SMN1; SMN2KDM4EALDH1A1
SCHEMBL7861210 0.84 KDM4E (0.48) MAPTALOX15SMN1; SMN2KDM4EALDH1A1
SCHEMBL7849174 0.83 KMT2A (0.36) MAPTALOX15SMN1; SMN2KDM4EALDH1A1
SCHEMBL29771892 0.82 ALDH1A1 (0.41) MAPTALOX15SMN1; SMN2KDM4EALDH1A1
SCHEMBL7850416 0.82 ALDH1A1 (0.41) MAPTALOX15SMN1; SMN2KDM4EALDH1A1
SCHEMBL7857231 0.82 ALDH1A1 (0.41) MAPTALOX15SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4728487-B2 2011-07-20 JP claimed
JP-2002539197-A 2002-11-19 JP claimed
EP-1163219-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2001-12-19 EP claimed
WO-2000055134-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2000-09-21 WO claimed
US-6380239-B1 FOR THERAPY OF ARTHRITIS, RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, REPERFUSION INJURY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE COLITIS, SYSTEMIC LUPUS ERYTHREMATOSIS, SCLERODERMA, APHTHOUS ULCERS, ASTHMA CELGENE CORPORATION 2002-04-30 US disclosed
EP-1163219-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2001-12-19 EP disclosed
WO-2000055134-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2000-09-21 WO disclosed