SCHEMBL11068294

SCHEMBL11068294

COC(=O)c1cc[n+](C)c2ccccc12.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.37
RCE1 Q9Y256 1/20 0.37
TCF4 P15884 1/20 0.37
CTNNB1 P35222 1/20 0.37
NR4A2 P43354 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
BRD4 O60885 1/20 0.36
GBA1 P04062 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL1002271 0.79 KDM4E (0.42) KDM4ELMNAHTTSMN1; SMN2RAB9A
SCHEMBL3323373 0.77 LMNA (0.40) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL6560166 0.77 SMN1; SMN2 (0.39) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL3885913 0.75 CHAT (0.46) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL30278762 0.75 CHAT (0.46) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL11209473 0.75 LMNA (0.38) KDM4ELMNAHTTSMN1; SMN2RAB9A
SCHEMBL5716038 0.73 SMN1; SMN2 (0.41) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL6554236 0.72 RAB9A (0.45) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL6559486 0.72 SMN1; SMN2 (0.39) KDM4ELMNAHTTSMN1; SMN2RAB9A
SCHEMBL38661525 0.71 KMT2A (0.40) MEN1KMT2AKDM4ELMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431774-A QUINOLINIUM SULFONATES AS LATENT ACID CATALYSTS; RADIATION; DECOMPOSITION; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1984-02-14 US disclosed