SCHEMBL3935962

SCHEMBL3935962

CCOC(=O)c1ccc(Br)c2nc(C)cc(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR6 P51684 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 3/20 0.40
PKM P14618 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
IKBKB O14920 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL3928069 0.89 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6586612 0.75 CCR6 (0.53) ALDH1A1SMN1; SMN2CCR6TSHRMAPT
SCHEMBL24317651 0.74 NUDT1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL30667026 0.74 KMT2A (0.41) ALDH1A1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL9505270 0.71 TSHR (0.68) CA12CA1CA2CA7CA9
SCHEMBL1626377 0.70 NR1H2 (0.62) CA12CA1CA2CA7CA9
SCHEMBL16828808 0.70 MEN1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL29812142 0.70 NR1H2 (0.62) CA12CA1CA2CA7CA9
SCHEMBL1980259 0.70 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL6640264 0.70 CCR6 (0.71) CA12CA1CA2CA7CA9

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
WO-2009008552-A1 8-ARYL-4-ALKYLPYRROLO[2,3,4-DE]QUINOLIN-5(4H)-ONE AND 8-ARYL-4-ALKYL-4,5-DIHYDROPYRROLO[2,3,4-DE]QUINOLIN-5-OL DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 WO disclosed