SCHEMBL5667002

SCHEMBL5667002

CCn1c(-c2ccccc2)c(N=Nc2sc(OC)c[n+]2C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 4/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
Hydrochloric Acid SCHEMBL3907750 0.99 GRIK2 (0.41) GRIK2ALDH1A1KDM4EPOLBHPGD
Bromide SCHEMBL3901964 0.99 GRIK2 (0.41) GRIK2ALDH1A1KDM4EPOLBHPGD
Hydrochloric Acid SCHEMBL3912278 0.99 GRIK2 (0.41) GRIK2ALDH1A1KDM4EPOLBHPGD
Bromide SCHEMBL3910685 0.99 GRIK2 (0.41) GRIK2ALDH1A1KDM4EPOLBHPGD
SCHEMBL3911869 0.93 CA12 (0.39) GRIK2ALDH1A1KDM4EPOLBHPGD
Hydrochloric Acid SCHEMBL3913103 0.89 GRIK2 (0.40) GRIK2ALDH1A1KDM4EPOLBHPGD
Hydrochloric Acid SCHEMBL3913107 0.89 GRIK2 (0.40) GRIK2ALDH1A1KDM4EPOLBHPGD
Bromide SCHEMBL3912430 0.89 GRIK2 (0.40) GRIK2ALDH1A1KDM4EPOLBHPGD
Bromide SCHEMBL3912428 0.89 GRIK2 (0.40) GRIK2ALDH1A1KDM4EPOLBHPGD
Bromide SCHEMBL3915077 0.86 ALDH1A1 (0.42) GRIK2ALDH1A1KDM4EPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730239-A1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES Wella Aktiengesellschaft (DE) 2006-12-13 EP disclosed
EP-1716209-A1 COLORANT FOR KERATIN FIBRES, CONTAINING INDOLYL THIAZOLIUM AZO DYES Wella Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005080507-A1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed
WO-2005079734-A1 COLORANT FOR KERATIN FIBRES, CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed