SCHEMBL6989701

SCHEMBL6989701

C=CCNC1CCC([C@@H](O)CNS(=O)(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PSEN1 P49768 7/20 0.37
PSEN2 P49810 7/20 0.37
APH1B Q8WW43 7/20 0.37
NCSTN Q92542 7/20 0.37
APH1A Q96BI3 7/20 0.37
PSENEN Q9NZ42 7/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
MDM2 Q00987 2/20 0.36
TP53 P04637 1/20 0.36
F10 P00742 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6986623 0.86 KMT2A (0.44) KMT2AALDH1A1HTTGAAHPGD
SCHEMBL6986984 0.84 KMT2A (0.57) KMT2AALDH1A1HTTGAAHPGD
SCHEMBL7139639 0.84 KMT2A (0.48) KMT2AALDH1A1HTTGAAHPGD
SCHEMBL6992491 0.84 KMT2A (0.45) KMT2AALDH1A1HTTGAAHPGD
SCHEMBL6989621 0.82 HPGD (0.44) KMT2AALDH1A1HTTGAAHPGD
SCHEMBL6989604 0.82 KMT2A (0.38) KMT2AALDH1A1HTTGAAHPGD
SCHEMBL6984524 0.82 KMT2A (0.45) KMT2AALDH1A1HTTGAAHPGD
SCHEMBL1169613 0.81 PSEN1 (0.44) KMT2AALDH1A1HTTGAAHPGD
SCHEMBL6982406 0.81 LMNA (0.47) KMT2AALDH1A1HTTGAAHPGD
SCHEMBL6988649 0.79 PSEN1 (0.42) KMT2AALDH1A1HTTGAAHPGD

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-1341779-A2 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2003-09-10 EP claimed
WO-2002057252-A2 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2002-07-25 WO claimed