SCHEMBL7893660

SCHEMBL7893660

O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.80
▸ ALDH1A1 P00352 2/20 0.77
▸ TSHR P16473 2/20 0.77
▸ GAA P10253 1/20 0.77
▸ KMT2A Q03164 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ CA12 O43570 1/20 0.62
▸ CA1 P00915 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ CA7 P43166 1/20 0.62
▸ CA9 Q16790 1/20 0.62
▸ CA14 Q9ULX7 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ MGLL Q99685 1/20 0.59
▸ MAPK1 P28482 1/20 0.58

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
SCHEMBL3714000 0.85 GPR183 (0.65) KMT2AMEN1L3MBTL1LMNACA12
SCHEMBL7890110 0.84 LMNA (0.73) USP2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7071911 0.83 L3MBTL1 (0.61) USP2ALDH1A1TSHRGAAKMT2A
Acetic Acid SCHEMBL27550437 0.80 L3MBTL1 (0.57) USP2ALDH1A1TSHRGAAKMT2A
SCHEMBL20804546 0.80 SMN1; SMN2 (0.90) USP2ALDH1A1TSHRGAAKMT2A
SCHEMBL1946614 0.78 L3MBTL1 (0.75) KMT2AMEN1L3MBTL1LMNAPOLB
SCHEMBL734913 0.78 CA12 (0.59) USP2ALDH1A1TSHRGAAKMT2A
SCHEMBL7895294 0.78 KDM4E (0.79) USP2ALDH1A1TSHRGAAKMT2A
SCHEMBL5011593 0.77 TSHR (0.64) USP2ALDH1A1TSHRGAALMNA
SCHEMBL3479891 0.77 MAPK9 (0.53) USP2ALDH1A1TSHRGAAKMT2A

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-2010102663-A1 PIPERAZINE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2010-09-16 — — WO disclosed
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