SCHEMBL6260772

SCHEMBL6260772

CNc1cccc2c1C(=O)N(C(CC(=O)O)C(=O)O)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.43
EGFR P00533 1/20 0.42
PABPC1 P11940 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6256204 0.90 ALDH1A1 (0.47) ALDH1A1HPGDPOLBKDM4EMAPK1
SCHEMBL6260327 0.90 PDE4A (0.46) ALDH1A1HPGDPOLBKDM4EMAPK1
SCHEMBL6265828 0.85 ALDH1A1 (0.55) ALDH1A1HPGDPOLBKDM4EMAPK1
SCHEMBL6262296 0.83 KMT2A (0.55) ALDH1A1HPGDPOLBKDM4EMAPK1
SCHEMBL6255737 0.83 POLB (0.50) ALDH1A1HPGDPOLBKDM4EMAPK1
SCHEMBL6258752 0.82 POLB (0.49) ALDH1A1HPGDPOLBKDM4EMAPK1
SCHEMBL6257316 0.81 KDM4E (0.51) ALDH1A1HPGDPOLBKDM4EMAPK1
SCHEMBL6262312 0.81 ALDH1A1 (0.52) ALDH1A1HPGDPOLBKDM4EMAPK1
SCHEMBL6259492 0.81 POLB (0.48) ALDH1A1HPGDPOLBKDM4EMAPK1
SCHEMBL23128980 0.80 ALDH1A1 (0.46) ALDH1A1HPGDPOLBKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163219-B1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORP (US) 2005-10-12 EP disclosed
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