SCHEMBL4785325

SCHEMBL4785325

O=S(=O)(NCCc1ccncc1)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C(F)(F)F)c12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 7/20 0.42
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 4/20 0.42
USP2 O75604 1/20 0.41
HTR6 P50406 2/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4783275 0.90 SMN1; SMN2 (0.49) LMNASMN1; SMN2HTTHTR6
SCHEMBL4782361 0.90 TBXAS1 (0.46) TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL4783079 0.87 AKR1C3 (0.45) TDP1ALDH1A1USP2KMT2AMAPK1
SCHEMBL4784743 0.86 HTR6 (0.41) ALDH1A1LMNASMN1; SMN2HTTHTR6
SCHEMBL4784579 0.85 TDP1 (0.54) TDP1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4784291 0.85 TDP1 (0.54) TDP1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4782569 0.83 TDP1 (0.51) TDP1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4783597 0.83 TDP1 (0.51) TDP1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4784894 0.82 KMT2A (0.44) ALDH1A1SMN1; SMN2KMT2ATSHRPKM
SCHEMBL4782672 0.81 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2HTR6PKM

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
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed