SCHEMBL22701403

SCHEMBL22701403

Cc1ccc(Nc2cc(Nc3ccc(N)cc3)c(N)cc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
GAA P10253 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
GFER P55789 1/20 0.53
L3MBTL1 Q9Y468 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
RECQL P46063 1/20 0.51
CASP6 P55212 1/20 0.51
ELAVL1 Q15717 1/20 0.51
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
APP P05067 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL11792172 0.94 GAA (0.62) MAPTGAATDP1KDM4ESMN1; SMN2
SCHEMBL20268581 0.90 MAPT (0.59) MAPTGAATDP1KDM4ESMN1; SMN2
SCHEMBL10813238 0.85 GAA (0.61) MAPTGAATDP1KDM4ESMN1; SMN2
SCHEMBL22683200 0.83 MAPT (0.61) MAPTGAATDP1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL11647101 0.83 MAPT (0.55) MAPTGAATDP1KDM4ESMN1; SMN2
SCHEMBL22102775 0.82 MAPT (0.65) MAPTGAATDP1KDM4ESMN1; SMN2
SCHEMBL9013602 0.81 ACHE (0.68) MAPTGAATDP1KDM4ESMN1; SMN2
SCHEMBL15831 0.81 ACHE (0.68) MAPTGAATDP1KDM4ESMN1; SMN2
SCHEMBL20285584 0.81 MAPT (0.51) MAPTGAATDP1KDM4ESMN1; SMN2
SCHEMBL7974346 0.77 RAPGEF4 (0.55) MAPTGAATDP1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3554466-B1 DISSYMMETRIC AZOMETHINE DIRECT DYES AND PROCESS FOR THEIR PREPARATION, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE AND USE THEREOF OREAL (FR) 2020-11-25 EP disclosed