SCHEMBL9011089

SCHEMBL9011089

CCC([n+]1cccc2ccccc21)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
APOBEC3A P31941 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
USP2 O75604 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HPGD P15428 2/20 0.36
RGS12 O14924 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 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
SCHEMBL9010948 0.88 MEN1 (0.40) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL9010950 0.78 NPC1 (0.33) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5546357 0.76 ATM (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9011152 0.76 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1APOBEC3A
SCHEMBL150281 0.74 HDAC8 (0.42) KDM4EALDH1A1LMNA
SCHEMBL8497616 0.73 KDM4E (0.33) MEN1KMT2AKDM4EALDH1A1APOBEC3A
SCHEMBL1127643 0.68 MEN1 (0.49) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL17157330 0.68 SLC22A2 (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL30920083 0.67 MEN1 (0.49) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL9010962 0.67 POLB (0.42) KMT2AGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101076337-A Compounds for inhibiting nonsense mutations and methods of use thereof PTC THERAPEUTICS INC (US) 2007-11-21 CN disclosed
CN-101076332-A Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC THERAPEUTICS INC (US) 2007-11-21 CN disclosed
EP-0649918-B1 Alkaline zinc-nickel alloy plating baths ROHCO INC MCGEAN (US) 1996-11-20 EP disclosed
US-5417840-A Quaternary ammonium compound containing nitrogen heterocycle, brightness MCGEAN-ROHCO, INC. (US) 1995-05-23 US disclosed
EP-0649918-A1 Alkaline zinc-nickel alloy plating baths MCGEAN-ROHCO, INC. (US) 1995-04-26 EP disclosed