SCHEMBL5350709

SCHEMBL5350709

CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CS(=O)(=O)[O-].Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.40

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
LMNA P02545 5/20 0.40
HTT P42858 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.40
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
APEX1 P27695 1/20 0.40
MMP14 P50281 2/20 0.35
RAD52 P43351 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
THPO P40225 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL2025501 0.97 LMNA (0.42) LMNAHTTMEN1KMT2AKDM4E
SCHEMBL2031262 0.90 MAPT (0.44) LMNAHTTMEN1KMT2AKDM4E
Sulfuric Acid SCHEMBL4604131 0.85 MAPT (0.45) LMNAHTTMEN1KMT2AKDM4E
Sulfuric Acid SCHEMBL5371996 0.84 MAPT (0.44) LMNAHTTMEN1KMT2AKDM4E
SCHEMBL5462937 0.83 LMNA (0.41) LMNAHTTMEN1KMT2AKDM4E
Sulfuric Acid SCHEMBL4604006 0.83 MAPT (0.43) LMNAHTTMEN1KMT2AKDM4E
SCHEMBL4603649 0.80 LMNA (0.41) LMNAHTTMEN1KMT2AKDM4E
SCHEMBL28339818 0.80 LMNA (0.37) LMNAHTTMEN1KMT2AKDM4E
SCHEMBL14811317 0.80 LMNA (0.56) LMNAHTTMEN1KMT2AKDM4E
Trifluoromethanesulfonic Acid SCHEMBL31169577 0.79 MEN1 (0.40) LMNAHTTMEN1KMT2AKDM4E

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-7179305-B2 Process for dyeing keratin fibers with ninhydrin compounds comprising one or more fused rings L'OREAL S.A. (FR) 2007-02-20 US disclosed