SCHEMBL3900604

SCHEMBL3900604

Cn1c(-c2ccccc2)c(N=Nc2sc(Br)c[n+]2C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 2/20 0.38
CYP2C19 P33261 1/20 0.38
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 0.37
HPGD P15428 2/20 0.37
HK1 P19367 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.33
TEK Q02763 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 2/20 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
SCHEMBL3900602 1.00 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10CYP2C19MAPT
Hydrochloric Acid SCHEMBL3904152 0.99 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CYP2C19MAPT
Hydrochloric Acid SCHEMBL3904156 0.99 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CYP2C19MAPT
Bromide SCHEMBL3912216 0.99 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CYP2C19MAPT
Bromide SCHEMBL3903486 0.99 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CYP2C19MAPT
SCHEMBL3901547 0.91 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10CYP2C19MAPT
SCHEMBL3896752 0.87 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CYP2C19MAPT
SCHEMBL3896751 0.87 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CYP2C19MAPT
SCHEMBL3899702 0.86 IL1R1 (0.41) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL3899699 0.86 IL1R1 (0.41) ALDH1A1MAPTNPC1RAB9AKDM4E

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