SCHEMBL10399119

SCHEMBL10399119

CCn1nccc1C(=O)c1cc2c(c(Cl)c1Cl)OC(C(=O)O)O2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
NR3C1 P04150 1/20 0.30

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
SCHEMBL10399963 0.89 HTT (0.31) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL9868886 0.85 HTT (0.44) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL27300317 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL10400551 0.80 MEN1 (0.33) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL10400526 0.80 CYP2C19 (0.32) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL10400265 0.77 POLB (0.34) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL10400029 0.76 HTT (0.39) KMT2AALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL10400883 0.74 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL27293150 0.74 MEN1 (0.33) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL10595985 0.72 POLB (0.40) KMT2AALDH1A1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4973600-A CONGESTIVE HEART FAILURE, GOUT, DIRUETICS, HYPERURICEMIA TANABE SEIYAKU CO., LTD. (JP) 1990-11-27 US claimed
EP-0329326-A1 Benzodioxole derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-08-23 EP claimed
US-4973600-A CONGESTIVE HEART FAILURE, GOUT, DIRUETICS, HYPERURICEMIA TANABE SEIYAKU CO., LTD. (JP) 1990-11-27 US disclosed
US-4965282-A DIURETICS TANABE SEIYAKU CO., LTD. (JP) 1990-10-23 US disclosed
EP-0329326-A1 Benzodioxole derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-08-23 EP disclosed