SCHEMBL4734889

SCHEMBL4734889

O=C(c1cccnc1)N1CCC(NS(=O)(=O)c2cc3c(cc2Cl)C2(CCCCC2)c2ccc(F)cc2S3(=O)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 7/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
CCNT1 O60563 1/20 0.40
RAB9A P51151 1/20 0.38
EPHX2 P34913 2/20 0.38
EPHX1 P07099 1/20 0.38
CCR8 P51685 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PKLR P30613 1/20 0.36
ACLY P53396 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4734739 0.92 SFRP1 (0.43) SFRP1EPHX2EPHX1CCR8LMNA
SCHEMBL4734307 0.86 SFRP1 (0.47) SFRP1L3MBTL1CCNT1RAB9AEPHX2
SCHEMBL4730886 0.81 MEN1 (0.36) SFRP1RAB9ACCR8LMNAALDH1A1
SCHEMBL4734205 0.81 SFRP1 (0.43) SFRP1EPHX2PKMALDH1A1HTT
SCHEMBL4732377 0.79 WNT3 (0.34) SFRP1L3MBTL1EPHX2LMNAALDH1A1
SCHEMBL4730880 0.76 MEN1 (0.36) SFRP1RAB9ACCR8LMNAALDH1A1
SCHEMBL4730501 0.74 DPP4 (0.39) SFRP1L3MBTL1EPHX2CCR8ALDH1A1
SCHEMBL4734135 0.70 SFRP1 (0.50) SFRP1L3MBTL1EPHX2LMNAPKM
SCHEMBL4733498 0.70 EPHX2 (0.40) SFRP1L3MBTL1EPHX2CCR8ALDH1A1
SCHEMBL4801378 0.70 KDM4E (0.39) SFRP1L3MBTL1ALDH1A1CYP3A4CYP2C9

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
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO claimed