SCHEMBL4301412

SCHEMBL4301412

Cc1ccc(O)cc1S(=O)(=O)[O-].O=c1oc2cc(N3CCOCC3)ccc2cc1-c1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 9/20 0.41
NPC1 O15118 2/20 0.41
SLC16A3 O15427 1/20 0.41
ALK Q9UM73 1/20 0.38
KIF11 P52732 2/20 0.37
ATM Q13315 1/20 0.37
ESR2 Q92731 1/20 0.36
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
GLA P06280 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL4302297 0.90 ALK (0.42) MIFNPC1SLC16A3ALKKIF11
SCHEMBL4301899 0.88 SLC16A3 (0.43) MIFNPC1SLC16A3ALKKIF11
Sulfuric Acid SCHEMBL4301560 0.88 SLC16A3 (0.48) MIFNPC1SLC16A3ALKKIF11
SCHEMBL4303899 0.88 SLC16A3 (0.40) MIFNPC1SLC16A3ALKKIF11
SCHEMBL4301409 0.86 SLC16A3 (0.42) MIFSLC16A3ALKRAB9AMEN1
SCHEMBL4305774 0.85 SLC16A3 (0.52) MIFNPC1SLC16A3ALKKIF11
Bromide SCHEMBL4303924 0.84 SLC16A3 (0.51) MIFNPC1SLC16A3ALKKIF11
SCHEMBL4304396 0.83 MIF (0.45) MIFNPC1SLC16A3ATMESR2
SCHEMBL4309620 0.82 CYP19A1 (0.46) MIFNPC1SLC16A3ATMRAB9A
SCHEMBL4309353 0.78 CHKA (0.52) MIFNPC1SLC16A3RAB9AKDM4E

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-2009124800-A1 CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN HENKEL AG & CO. KGAA (DE) 2009-10-15 WO disclosed