SCHEMBL6947019

SCHEMBL6947019

CCOC(=O)CC(=O)c1c(F)ccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
BRD4 O60885 2/20 0.44
CREBBP Q92793 2/20 0.44
CHEK1 O14757 1/20 0.43
HSD17B10 Q99714 1/20 0.41
NTRK1 P04629 2/20 0.40
NTRK2 Q16620 1/20 0.40
ALOX5 P09917 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC1 Q13547 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MMP2 P08253 1/20 0.38
ALOX15 P16050 1/20 0.37
P2RX3 P56373 1/20 0.37
RNASEH1 O60930 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL6947028 0.84 MAPT (0.44) MAPTHSD17B10NTRK1NTRK2ALOX5
SCHEMBL6946608 0.83 CREBBP (0.50) BRD4CREBBPNTRK1NTRK2ALOX5
SCHEMBL6949839 0.82 CHEK1 (0.50) MAPTBRD4CREBBPCHEK1HSD17B10
SCHEMBL6948248 0.81 RAB9A (0.48) MAPTBRD4CREBBPNTRK1NTRK2
SCHEMBL6954309 0.80 MAPT (0.43) MAPTBRD4CREBBPCHEK1HSD17B10
SCHEMBL6947548 0.79 MAPT (0.43) MAPTBRD4CREBBPCHEK1HSD17B10
SCHEMBL6946502 0.78 MAPT (0.44) MAPTBRD4CREBBPCHEK1HSD17B10
SCHEMBL6950177 0.76 MAPT (0.43) MAPTBRD4CREBBPCHEK1HSD17B10
SCHEMBL6948273 0.75 DHODH (0.51) MAPTBRD4CREBBPCHEK1HDAC6
SCHEMBL6945300 0.74 CHEK1 (0.48) MAPTBRD4CREBBPCHEK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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