SCHEMBL6946445

SCHEMBL6946445

O=C(O)CC(=O)n1c(Cc2ccccc2)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 2/20 0.61
LMNA P02545 5/20 0.52
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ASAH1 Q13510 1/20 0.48
TP53 P04637 3/20 0.46
MAPT P10636 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
APEX1 P27695 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL221728 0.89 TSHR (0.60) TSHRMAPK1HTTLMNAKMT2A
SCHEMBL6948259 0.83 TSHR (0.54) TSHRMAPK1HTTLMNAKMT2A
SCHEMBL15643258 0.77 APEX1 (0.71) HTTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL28132216 0.74 POLB (0.56) TSHRMAPK1HTTLMNAKMT2A
SCHEMBL27799842 0.73 LMNA (0.68) TSHRMAPK1HTTLMNAKMT2A
SCHEMBL27894202 0.71 LMNA (0.64) TSHRMAPK1HTTLMNAKMT2A
SCHEMBL15643536 0.71 MAPT (0.65) HTTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL15685947 0.70 NPSR1 (0.69) HTTLMNAKMT2AMEN1MAPT
SCHEMBL2518498 0.70 LMNA (0.63) TSHRHTTLMNAKMT2AMEN1
SCHEMBL8022032 0.69 NPC1 (0.65) TSHRMAPK1HTTLMNAKMT2A

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