SCHEMBL15020203

SCHEMBL15020203

NC1=CC(=O)C(Nc2ccc(N)c(Cl)c2)=CC1=Nc1ccc(N)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL15039491 1.00 DNM1 (0.32) DNM1CA12CA1CA2CA4
SCHEMBL15020202 1.00 DNM1 (0.32) DNM1CA12CA1CA2CA4
SCHEMBL10046785 0.82 CYP3A4 (0.40) DNM1MEN1KMT2A
SCHEMBL15315668 0.80 TSHR (0.41) DNM1MEN1KMT2A
SCHEMBL10046653 0.77 DNM1 (0.41) DNM1CA12CA2CA9MEN1
SCHEMBL15039505 0.77 DNM1 (0.41) DNM1CA12CA2CA9MEN1
SCHEMBL15039580 0.76 DNM1 (0.42) DNM1MEN1KMT2A
SCHEMBL15020065 0.76 DNM1 (0.42) DNM1MEN1KMT2A
SCHEMBL15020067 0.76 DNM1 (0.42) DNM1MEN1KMT2A
SCHEMBL15020488 0.75 DNM1 (0.38) DNM1MEN1KMT2A

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-2791252-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2014-10-22 — — EP claimed
WO-2013087768-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2013-06-20 — — WO claimed
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