SCHEMBL3900784

SCHEMBL3900784

COc1c[n+](C)c(/N=N/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL1R1 P14778 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3900787 1.00 IL1R1 (0.40) IL1R1L3MBTL1KMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL3904913 0.99 IL1R1 (0.39) IL1R1L3MBTL1KMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL3904916 0.99 IL1R1 (0.39) IL1R1L3MBTL1KMT2AMAPTMEN1
Bromide SCHEMBL3911037 0.99 IL1R1 (0.39) IL1R1L3MBTL1KMT2AMAPTMEN1
Bromide SCHEMBL3910310 0.99 IL1R1 (0.39) IL1R1L3MBTL1KMT2AMAPTMEN1
SCHEMBL3900770 0.93 IL1R1 (0.35) IL1R1L3MBTL1KMT2AMAPTMEN1
SCHEMBL3901267 0.87 IL1R1 (0.41) IL1R1L3MBTL1KMT2AMAPTMEN1
SCHEMBL3901260 0.87 IL1R1 (0.41) IL1R1L3MBTL1KMT2AMAPTMEN1
SCHEMBL3908553 0.87 L3MBTL1 (0.41) L3MBTL1KMT2AMAPTMEN1ALDH1A1
SCHEMBL3908554 0.87 L3MBTL1 (0.41) L3MBTL1KMT2AMAPTMEN1ALDH1A1

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