SCHEMBL7568519

SCHEMBL7568519

Cc1cc(N)ccc1C(N)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 5/20 0.45
CASP1 P29466 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
THRB P10828 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM1 Q13255 2/20 0.35
CYP1A2 P05177 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.33
PLA2G7 Q13093 1/20 0.33
NR4A1 P22736 1/20 0.33
PTK2B Q14289 1/20 0.33

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
Sulfuric Acid SCHEMBL4624976 0.92 L3MBTL1 (0.42) PDE10AALDH1A1CASP1TSHRCYP3A4
SCHEMBL18793781 0.82 TDP1 (0.40) ALDH1A1MEN1KMT2ALMNAALOX15
SCHEMBL10806066 0.82 PDE10A (0.47) PDE10AALDH1A1CASP1TSHRCYP3A4
Hydrochloric Acid SCHEMBL5759186 0.78 GRM1 (0.33) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL30084991 0.75 ALDH1A1 (0.52) PDE10AALDH1A1CASP1TSHRCYP3A4
Sulfurous Acid SCHEMBL10807049 0.75 PDE10A (0.40) PDE10AALDH1A1CASP1TSHRCYP3A4
Sulfuric Acid SCHEMBL10807110 0.75 L3MBTL1 (0.43) PDE10AALDH1A1CASP1TSHRCYP3A4
SCHEMBL20768618 0.75 GRM1 (0.66) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL20768617 0.75 GRM1 (0.66) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL19347299 0.75 SKP2 (0.41) CYP3A4MAPTCYP1A2CYP2C9CYP2C19

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-1234569-A1 COMPOSITIONS FOR DYEING HORNY FIBERS Lion Corporation (JP) 2002-08-28 EP disclosed