SCHEMBL6945277

SCHEMBL6945277

CCOC(=O)CC(O)c1cccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
MAPT P10636 1/20 0.47
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
F10 P00742 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
NTRK1 P04629 2/20 0.39
MMP2 P08253 1/20 0.38
F2 P00734 1/20 0.38
NTRK2 Q16620 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR6 P50406 1/20 0.38
ALOX5 P09917 1/20 0.37
HDAC1 Q13547 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
SCHEMBL29828622 1.00 CHEK1 (0.48) CHEK1MAPTHSD17B10NPC1RAB9A
SCHEMBL6948766 0.92 CHEK1 (0.47) CHEK1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL7653156 0.92 ALDH1A1 (0.42) CHEK1MAPTHSD17B10NPC1RAB9A
SCHEMBL6950391 0.91 CHEK1 (0.52) CHEK1MAPTHSD17B10NPC1RAB9A
SCHEMBL7654820 0.90 ALDH1A1 (0.50) CHEK1MAPTHSD17B10NPC1RAB9A
SCHEMBL7650912 0.90 NPC1 (0.40) CHEK1MAPTHSD17B10NPC1RAB9A
Hydrochloric Acid SCHEMBL6953890 0.90 CHEK1 (0.51) CHEK1MAPTHSD17B10NPC1RAB9A
SCHEMBL6953837 0.90 CHEK1 (0.43) CHEK1MAPTHSD17B10NPC1RAB9A
SCHEMBL6952443 0.89 BRD4 (0.46) CHEK1MAPTHSD17B10NPC1RAB9A
SCHEMBL7656006 0.88 KDM4E (0.42) CHEK1HSD17B10NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210060158-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2021-03-04 US claimed
EP-3684410-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY Institut Curie (FR) 2020-07-29 EP claimed
WO-2019057744-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY INSTITUT CURIE (FR) 2019-03-28 WO claimed
US-20230152314-A1 LIPOCALIN-2 ASSAY FOR INTESTINAL ADAPTATION THE JOHNS HOPKINS UNIVERSITY 2023-05-18 US disclosed
US-20210060158-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2021-03-04 US disclosed
EP-3684410-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY Institut Curie (FR) 2020-07-29 EP disclosed
WO-2019057744-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY INSTITUT CURIE (FR) 2019-03-28 WO disclosed
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed