SCHEMBL4864650

SCHEMBL4864650

CCN(CC[N+](C)(C)C)c1ccc(N=Nc2sc3cc(OC)ccc3[n+]2C)cc1.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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
INSR P06213 5/20 0.58
MAPT P10636 6/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPK1 P28482 3/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
GSK3B P49841 1/20 0.34
PKM P14618 1/20 0.34
CNR2 P34972 5/20 0.33
CNR1 P21554 4/20 0.33
LMNA P02545 2/20 0.33
APOBEC3A P31941 1/20 0.33
APP P05067 1/20 0.33

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
Sulfuric Acid SCHEMBL4862784 0.97 INSR (0.60) INSRMAPTPOLBALDH1A1RAB9A
Sulfuric Acid SCHEMBL4862781 0.97 INSR (0.60) INSRMAPTPOLBALDH1A1RAB9A
SCHEMBL4860682 0.93 INSR (0.66) INSRMAPTPOLBALDH1A1RAB9A
SCHEMBL4860689 0.93 INSR (0.66) INSRMAPTPOLBALDH1A1RAB9A
Basic Blue 41 SCHEMBL110712 0.90 INSR (0.60) INSRMAPTPOLBALDH1A1RAB9A
Basic Blue 41 SCHEMBL29366785 0.90 INSR (0.60) INSRMAPTPOLBALDH1A1RAB9A
Basic Blue 41 SCHEMBL94760 0.90 INSR (0.60) INSRMAPTPOLBALDH1A1RAB9A
Methacrylic Acid SCHEMBL600099 0.84 INSR (0.53) INSRMAPTPOLBALDH1A1RAB9A
SCHEMBL23064864 0.84 INSR (0.61) INSRMAPTPOLBALDH1A1RAB9A
SCHEMBL21140925 0.84 INSR (0.77) INSRMAPTPOLBALDH1A1RAB9A

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-7326259-B2 Use of polycationic compounds in the dyeing of keratinous fibres L'OREAL S.A. (FR) 2008-02-05 US claimed