Sugi Predict

Sugi Predict / Compounds / SCHEMBL3428003

SCHEMBL3428003

SCHEMBL3428003

COc1ccc(Cl)cc1S(=O)(=O)N1CCCC(C(=O)N2CCCC2c2ccccc2)C1.COc1ccccc1S(=O)(=O)N1CCCC(C(=O)N2CCCC2c2ccccc2)C1.O=C(C1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)N1CCCC1c1ccccc1.O=C(C1CCCN(S(=O)(=O)c2ccccc2Cl)C1)N1CCCC1c1ccc(F)cc1.O=C(C1CCCN(S(=O)(=O)c2ccccc2Cl)C1)N1CCCC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.51
▸ POLB P06746 5/20 0.48
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41

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
SCHEMBL4095724 0.89 ATM (0.61) ATMPOLBKMT2AMEN1HTT
SCHEMBL1713131 0.87 ATM (0.64) ATMPOLBKMT2AMEN1LMNA
SCHEMBL1713059 0.85 ATM (0.62) ATMPOLBKMT2AMEN1HTT
SCHEMBL1712578 0.82 POLB (0.54) ATMPOLBKMT2AMEN1MAPT
SCHEMBL1712628 0.82 FAAH (0.51) POLBKMT2AMEN1MAPTLMNA
SCHEMBL1712872 0.82 AKR1C3 (0.55) POLBKMT2AMEN1MAPTLMNA
SCHEMBL1713376 0.81 LMNA (0.55) POLBKMT2AMEN1MAPTLMNA
SCHEMBL1712984 0.81 KMT2A (0.54) ATMPOLBKMT2AMEN1MAPT
SCHEMBL1713030 0.79 CNR1 (0.56) POLBKMT2AMEN1MAPTLMNA
SCHEMBL1722857 0.77 CNR1 (0.56) POLBKMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252587-A1 PIPERIDINE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-24 — — EP claimed
WO-2009100994-A1 PIPERIDINE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 — — WO claimed
EP-2252587-A1 PIPERIDINE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-24 — — EP disclosed
WO-2009100994-A1 PIPERIDINE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 — — WO disclosed