SCHEMBL4801378

SCHEMBL4801378

O=C(c1ccncc1)N1CCC(N(Cl)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)c2cc(F)ccc2C32CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 9/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SFRP1 Q8N474 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RORC P51449 2/20 0.34
CYP2C9 P11712 6/20 0.34
CYP2C19 P33261 6/20 0.34
CYP1A2 P05177 5/20 0.34
CYP2D6 P10635 5/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4730135 0.81 PKM (0.39) KDM4EPOLBGAASMN1; SMN2L3MBTL1
SCHEMBL4734739 0.77 SFRP1 (0.43) KDM4EPOLBGAACYP3A4SFRP1
SCHEMBL4734889 0.70 SFRP1 (0.47) CYP3A4SFRP1L3MBTL1CYP2C9CYP2C19
SCHEMBL4734556 0.62 KCNK2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4818827 0.62 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8364179 0.62 LMNA (0.45) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL4395827 0.60 CACNA1B (0.75) CYP3A4L3MBTL1NR1I2CACNA1B
SCHEMBL4795055 0.59 KMT2A (0.39) KDM4EPOLBGAASMN1; SMN2L3MBTL1
SCHEMBL12761129 0.59 L3MBTL1 (0.75) POLBGAASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4733330 0.59 ALDH1A1 (0.36) GAAPSEN1PSEN2APH1BNCSTN

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 disclosed