SCHEMBL7799808

SCHEMBL7799808

CC(C)COC(=O)NS(=O)(=O)c1ccccc1I

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
ITGAV P06756 1/20 0.41
LMNA P02545 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
MAOB P27338 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7803961 0.81 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL13026210 0.81 ITGAV (0.42) ALDH1A1ITGAVLMNASMN1; SMN2MEN1
SCHEMBL28618106 0.80 LARS1 (0.55) ALDH1A1TSHRLMNAKDM4ESMN1; SMN2
SCHEMBL15791260 0.72 KMT2A (0.49) ALDH1A1TSHRLMNASMN1; SMN2MEN1
SCHEMBL9860662 0.71 ITGAV (0.48) ALDH1A1TSHRITGAVLMNAAGTR1
SCHEMBL23852573 0.70 MAOB (0.50) ALDH1A1TSHRLMNAMAOBKDM4E
SCHEMBL27021686 0.70 NLRP3 (0.48) ALDH1A1
SCHEMBL21098178 0.70 CTDSP1 (0.43) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5640046 0.70 SMN1; SMN2 (0.45) ALDH1A1TSHRLMNAMAOBKDM4E
SCHEMBL11851628 0.69 GAA (0.49) ALDH1A1TSHRITGAVLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749964-B1 N-Heterocyclyl biphenyl sulfonamides ASTRAZENECA AB (SE) 2001-10-04 EP disclosed
EP-0749964-A1 N-Heterocyclyl biphenyl sulfonamides ZENECA LIMITED (GB) 1996-12-27 EP disclosed