SCHEMBL3719307

SCHEMBL3719307

Cn1c(C=O)cnc1S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
HTR6 P50406 1/20 0.39
ATM Q13315 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 4/20 0.35
AGTR1 P30556 1/20 0.34
TP53 P04637 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
HTR2A P28223 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
SCHEMBL4035958 0.74 KDM4E (0.39) KDM4EHTR6ALDH1A1L3MBTL1MEN1
SCHEMBL13114046 0.74 KDM4E (0.39) KDM4EHTR6ALDH1A1L3MBTL1MEN1
SCHEMBL474103 0.71 HPGDS (0.51) KDM4EATMALDH1A1
SCHEMBL28459041 0.69 HTR6 (0.43) HTR6ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1466309 0.69 KDM4E (0.43) KDM4EHTR6ALDH1A1L3MBTL1HTT
SCHEMBL6601315 0.68 HTR2A (0.40) CA12CA1CA2ALDH1A1MEN1
SCHEMBL15742051 0.68 ABCB1 (0.39) KDM4EHTR6ALDH1A1L3MBTL1MEN1
SCHEMBL858846 0.68
SCHEMBL19244945 0.68 NPC1 (0.43) KDM4ECA12ALDH1A1L3MBTL1KMT2A
SCHEMBL3532776 0.67 NPC1 (0.48) KDM4EALDH1A1MEN1KMT2AHTT

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-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed