SCHEMBL3908554

SCHEMBL3908554

COc1c[n+](C)c(N=Nc2c(-c3ccccc3)n(C)c3ccccc23)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 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
SCHEMBL3908553 1.00 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNAHSD17B10CYP2C19
Hydrochloric Acid SCHEMBL3912703 0.99 L3MBTL1 (0.40) L3MBTL1ALDH1A1LMNAHSD17B10CYP2C19
Bromide SCHEMBL3897531 0.99 L3MBTL1 (0.40) L3MBTL1ALDH1A1LMNAHSD17B10CYP2C19
Bromide SCHEMBL3899754 0.99 L3MBTL1 (0.40) L3MBTL1ALDH1A1LMNAHSD17B10CYP2C19
Hydrochloric Acid SCHEMBL3912706 0.99 L3MBTL1 (0.40) L3MBTL1ALDH1A1LMNAHSD17B10CYP2C19
SCHEMBL3900839 0.93 ALDH1A1 (0.38) L3MBTL1ALDH1A1LMNAHSD17B10CYP2C19
SCHEMBL3900784 0.87 IL1R1 (0.40) L3MBTL1ALDH1A1LMNAMAPTNPC1
SCHEMBL3900787 0.87 IL1R1 (0.40) L3MBTL1ALDH1A1LMNAMAPTNPC1
SCHEMBL3896751 0.86 ALDH1A1 (0.42) L3MBTL1ALDH1A1LMNAHSD17B10CYP2C19
SCHEMBL3896752 0.86 ALDH1A1 (0.42) L3MBTL1ALDH1A1LMNAHSD17B10CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716209-B1 USE OF COMPOSITION CONTAINING INDOLYL THIAZOLIUM AZO DYES FOR DYING KERATIN FIBERS WELLA AG (DE) 2009-03-25 EP claimed
EP-1730239-B1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AG (DE) 2007-05-02 EP claimed