SCHEMBL3896752

SCHEMBL3896752

Cc1c[n+](C)c(N=Nc2c(-c3ccccc3)n(C)c3ccccc23)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 2/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP11B2 P19099 1/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
MEN1 O00255 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL3896751 1.00 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CYP2C19MAPT
Hydrochloric Acid SCHEMBL3904898 0.99 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10CYP2C19MAPT
Bromide SCHEMBL3901716 0.99 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10CYP2C19MAPT
Hydrochloric Acid SCHEMBL3904895 0.99 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10CYP2C19MAPT
Bromide SCHEMBL3901719 0.99 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10CYP2C19MAPT
SCHEMBL3899803 0.91 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10CYP2C19MAPT
SCHEMBL3900604 0.87 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10CYP2C19MAPT
SCHEMBL3900602 0.87 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10CYP2C19MAPT
SCHEMBL3908554 0.86 L3MBTL1 (0.41) ALDH1A1LMNAHSD17B10CYP2C19MAPT
Bromide SCHEMBL3903486 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CYP2C19MAPT

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