SCHEMBL10874697

SCHEMBL10874697

C=Cc1cccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
APP P05067 2/20 0.41
RELA Q04206 1/20 0.41
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2A13 Q16696 1/20 0.35
MAT2A P31153 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
SCHEMBL5480680 0.83 SLC2A1 (0.53) SLC2A1TDP1TP53TSHRMAPT
SCHEMBL10874956 0.81 ALDH1A1 (0.52) TDP1TP53TSHRCYP1A2MAPK1
SCHEMBL10877508 0.81 NR1H2 (0.39) TDP1TP53TSHRMAPTMAPK1
SCHEMBL609678 0.75 TP53 (0.54) TDP1TP53TSHRMAPTMAPK1
SCHEMBL6558657 0.75 SLC2A1 (0.49) SLC2A1TDP1TP53TSHRMAPT
SCHEMBL7536675 0.75 KMT2A (0.51) SLC2A1TDP1TSHRMAPTL3MBTL1
SCHEMBL7110610 0.74 SLC2A1 (0.61) SLC2A1TDP1TSHRMAPTL3MBTL1
SCHEMBL61350 0.74 SLC2A1 (0.61) SLC2A1TDP1TSHRMAPTL3MBTL1
SCHEMBL61574 0.74 SLC2A1 (0.71) SLC2A1TDP1TP53TSHRMAPT
SCHEMBL9626237 0.74 SLC2A1 (0.71) SLC2A1TDP1TP53TSHRMAPT

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-0055847-B1 PRESSURE SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-04-02 EP disclosed
EP-0058430-B1 DYESTUFF-CONTAINING MICROSCOPIC CAPSULE DISPERSION FOR RECORD MATERIALS MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-12-04 EP disclosed