SCHEMBL177177

SCHEMBL177177

CC(C)c1nn(Cc2ccccc2)c2cc(OCCNC(=O)O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.48
S1PR3 Q99500 8/20 0.42
PLA2G2A P14555 4/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KLKB1 P03952 1/20 0.40
PDE5A O76074 1/20 0.40
ACSS2 Q9NR19 1/20 0.40

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
SCHEMBL2238106 0.90 L3MBTL1 (0.53) SLC22A12S1PR3
SCHEMBL176885 0.74 SLC22A12 (0.52) SLC22A12S1PR3PLA2G2AALDH1A1TDP1
SCHEMBL26137617 0.73 SLC22A12 (0.50) SLC22A12MEN1KMT2ATDP1PDE5A
SCHEMBL2305598 0.72 L3MBTL1 (0.49) SLC22A12MEN1KMT2AKLKB1
SCHEMBL13777322 0.71 CNR1 (0.54) SLC22A12ALDH1A1HPGDMAPK1PDE5A
SCHEMBL21649244 0.70 SLC22A12 (0.47) SLC22A12TDP1PDE5A
SCHEMBL3128916 0.70 PTGS1 (0.46) ALDH1A1HPGDKLKB1
SCHEMBL2240917 0.69 SCN8A (0.50) KMT2A
SCHEMBL23832442 0.69 PPARG (0.60) ALDH1A1HPGDMAPK1MEN1KMT2A
SCHEMBL1967017 0.68 CPT1A (0.48) ALDH1A1HPGDPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed