SCHEMBL9010948

SCHEMBL9010948

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.40
KMT2A Q03164 8/20 0.40
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
USP2 O75604 2/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
RGS12 O14924 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 2/20 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
SCHEMBL9011089 0.88 MEN1 (0.42) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL9010964 0.79 CA1 (0.34) RAB9ANPC1SMN1; SMN2CA1CA2
Iodide SCHEMBL10482603 0.68 MEN1 (0.47) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL5546357 0.68 ATM (0.41) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL9011152 0.68 KDM4E (0.42) MEN1KMT2AKDM4EUSP2ALDH1A1
SCHEMBL9011006 0.67 CHRM1 (0.35) SMN1; SMN2NPSR1
Naphthalene SCHEMBL29256345 0.66 PPARG (0.41) SMN1; SMN2NPSR1HPGDGAACA1
Water SCHEMBL8009819 0.66 CHRM1 (0.34) SMN1; SMN2
SCHEMBL1127643 0.66 MEN1 (0.49) MEN1KMT2AKDM4EUSP2TNNI3
SCHEMBL9010950 0.66 NPC1 (0.33) KMT2ARAB9ANPC1SMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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