SCHEMBL4782672

SCHEMBL4782672

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TBXA2R P21731 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR6 P50406 6/20 0.37
PTGES O14684 1/20 0.36
CCR1 P32246 1/20 0.36
GFER P55789 1/20 0.35
FABP4 P15090 1/20 0.35
TNFSF11 O14788 1/20 0.35
TNF P01375 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
SCHEMBL4783079 0.81 AKR1C3 (0.45) ALDH1A1PTGES
SCHEMBL4785325 0.81 TDP1 (0.51) ALDH1A1LMNAPKMSMN1; SMN2HTR6
SCHEMBL4785309 0.81 HTR6 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2HTR6
SCHEMBL4784743 0.80 HTR6 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2HTR6
SCHEMBL4782361 0.79 TBXAS1 (0.46) TBXA2RSMN1; SMN2
SCHEMBL4783275 0.78 SMN1; SMN2 (0.49) LMNASMN1; SMN2HTR6
SCHEMBL4784746 0.78 LMNA (0.39) KDM4ELMNASMN1; SMN2
SCHEMBL4783430 0.78 CNR2 (0.48) ALDH1A1PKMHTR6
SCHEMBL4781323 0.76 HTR6 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2HTR6
SCHEMBL4784894 0.76 KMT2A (0.44) ALDH1A1PKMSMN1; SMN2

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