SCHEMBL4732031

SCHEMBL4732031

CC(C)c1cc2c(cc1S(=O)(=O)NCCc1ccncc1)S(=O)(=O)c1cc(F)ccc1CC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
LMNA P02545 7/20 0.41
HTT P42858 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
USP2 O75604 2/20 0.34
TP53 P04637 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
SCHEMBL4732619 0.91 TAAR1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL4734133 0.90 TBXAS1 (0.40) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL4730493 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL4733242 0.85 TDP1 (0.42) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL4731644 0.85 ACHE (0.44) ALDH1A1LMNAHTTTDP1
SCHEMBL4731516 0.85 MEN1 (0.39) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL4730979 0.84 TBXAS1 (0.42) ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL4734310 0.84 AKR1C3 (0.38) ALDH1A1LMNASMN1; SMN2TSHRTP53
SCHEMBL4730503 0.81 SMN1; SMN2 (0.47) ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL4731425 0.79 KMT2A (0.40) ALDH1A1LMNAHTTSMN1; SMN2MEN1

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