SCHEMBL1712558

SCHEMBL1712558

COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCCC3c3ccc4c(c3)OCCO4)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 3/20 0.54
TSHR P16473 2/20 0.54
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
PKLR P30613 1/20 0.53
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1712641 0.89 MAPT (0.54) ALDH1A1LMNASMN1; SMN2HTTPKM
SCHEMBL1712968 0.86 MAPT (0.53) ALDH1A1LMNASMN1; SMN2HTTPKM
SCHEMBL1713056 0.80 MAPK1 (0.67) ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL1713223 0.78 MAPK1 (0.63) ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL7829590 0.76 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2
SCHEMBL7832350 0.74 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2
SCHEMBL5243063 0.74 ALDH1A1 (0.74) ALDH1A1LMNASMN1; SMN2HTTTSHR
SCHEMBL4094978 0.73 LMNA (0.67) ALDH1A1LMNASMN1; SMN2HTTTSHR
SCHEMBL1713250 0.73 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2HTTTSHR
SCHEMBL29873927 0.73 ALDH1A1 (0.73) ALDH1A1LMNASMN1; SMN2HTTTSHR

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-2252587-B1 PIPERIDINE SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-20 EP claimed
EP-2252587-B1 PIPERIDINE SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed