SCHEMBL3759328

SCHEMBL3759328

O=CC(NC(=O)c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DCTPP1 Q9H773 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL1222165 0.77 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL1617607 0.71 KMT2A (0.61) KMT2AMEN1ALDH1A1DCTPP1CNR2
SCHEMBL14815988 0.71 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL15462064 0.70 KMT2A (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2DCTPP1
SCHEMBL3528137 0.69 MAPT (0.49) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL18711924 0.67 KMT2A (0.75) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL31684031 0.67 KMT2A (0.87) KMT2AMEN1ALDH1A1SMN1; SMN2CNR2
SCHEMBL18711931 0.66 KMT2A (0.73) KMT2AMEN1ALDH1A1DCTPP1LMNA
SCHEMBL27596864 0.66 KMT2A (0.84) KMT2AMEN1ALDH1A1SMN1; SMN2CNR2
SCHEMBL10558121 0.65 KMT2A (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2DCTPP1

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
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 — — US claimed
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