SCHEMBL21547592

SCHEMBL21547592

CCN(C)/C=N\Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AOC3 Q16853 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL7260902 0.85 TSHR (0.48) ALDH1A1TSHRSMN1; SMN2AOC3TAAR1
SCHEMBL7260899 0.85 TSHR (0.48) ALDH1A1TSHRSMN1; SMN2AOC3TAAR1
SCHEMBL7265536 0.82 ALDH1A1 (0.43) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL7265542 0.82 ALDH1A1 (0.43) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL17761948 0.82 ALDH1A1 (0.43) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL14998044 0.77 MAPT (0.35) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL22014077 0.77 MAPT (0.35) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL12562413 0.76 ALDH1A1 (0.38) ALDH1A1TSHRMAPTHPGDKDM4E
SCHEMBL7118048 0.71 TP53 (0.44) ALDH1A1TP53MAPTHPGDKDM4E
SCHEMBL3390354 0.71 TP53 (0.44) ALDH1A1TP53MAPTHPGDKDM4E

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-2616513-B1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECH CO (SA) 2019-11-06 EP disclosed