SCHEMBL12761129

SCHEMBL12761129

O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.75
▸ GAA P10253 2/20 0.65
▸ ATM Q13315 1/20 0.65
▸ LMNA P02545 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ PKM P14618 3/20 0.61
▸ KMT2A Q03164 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ CA12 O43570 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA7 P43166 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ CA14 Q9ULX7 1/20 0.59

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
SCHEMBL1945511 0.86 L3MBTL1 (0.81) L3MBTL1ATMLMNAKMT2AMEN1
SCHEMBL12761130 0.86 ATM (0.65) L3MBTL1ATMLMNACA12CA1
SCHEMBL1946614 0.86 L3MBTL1 (0.75) L3MBTL1ATMLMNAKMT2AMEN1
SCHEMBL10717731 0.85 CA12 (0.66) L3MBTL1GAALMNAPKMKMT2A
SCHEMBL10674722 0.85 CA12 (0.66) L3MBTL1GAALMNAPKMKMT2A
SCHEMBL3714000 0.85 GPR183 (0.65) L3MBTL1LMNAPKMKMT2AMEN1
Hydrochloric Acid SCHEMBL10719352 0.84 CA12 (0.64) L3MBTL1GAALMNAPKMKMT2A
SCHEMBL752734 0.83 L3MBTL1 (0.65) L3MBTL1GAAATMLMNASMN1; SMN2
SCHEMBL1947493 0.82 L3MBTL1 (0.64) L3MBTL1ATMLMNASMN1; SMN2KMT2A
SCHEMBL10670607 0.82 ALDH1A1 (0.67) L3MBTL1PKMKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 — — EP claimed
EP-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 — — EP disclosed
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