SCHEMBL5171973

SCHEMBL5171973

COc1c[n+](C)c(N=Nc2c(C)n(C)c3ccccc23)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 3/20 0.35
MGAM O43451 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL5171967 1.00 KMT2A (0.37) KMT2ATSHRGAAMGAMSI
Bromide SCHEMBL4865920 0.99 KMT2A (0.36) KMT2ATSHRGAAMGAMSI
Hydrochloric Acid SCHEMBL3900431 0.99 KMT2A (0.36) KMT2ATSHRGAAMGAMSI
Bromide SCHEMBL4865917 0.99 KMT2A (0.36) KMT2ATSHRGAAMGAMSI
Hydrochloric Acid SCHEMBL3900426 0.99 KMT2A (0.36) KMT2ATSHRGAAMGAMSI
SCHEMBL4863759 0.92 CA12 (0.38) KMT2ATSHRGAAMGAMSI
SCHEMBL4870015 0.86 KMT2A (0.39) KMT2ATSHRGAAMGAMSI
SCHEMBL4870021 0.86 KMT2A (0.39) KMT2ATSHRGAAMGAMSI
Hydrochloric Acid SCHEMBL4872335 0.85 KMT2A (0.39) KMT2ATSHRGAAMGAMSI
Hydrochloric Acid SCHEMBL4872332 0.85 KMT2A (0.39) KMT2ATSHRGAAMGAMSI

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
EP-1730239-B1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AG (DE) 2007-05-02 EP claimed