SCHEMBL29531968

SCHEMBL29531968

N#Cc1ccccc1-c1ccc(Cl)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
XDH P47989 1/20 0.39
S100A4 P26447 1/20 0.39
HSD17B3 P37058 1/20 0.38
VCAM1 P19320 1/20 0.37
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
GLA P06280 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
SCHEMBL28711417 1.00 ERN1 (0.42) ERN1TDP1XDHS100A4HSD17B3
SCHEMBL8802386 0.81 MEN1 (0.46) TDP1XDHUSP8USP7ESR2
SCHEMBL6003472 0.81 ERN1 (0.52) ERN1TDP1XDHS100A4ALDH1A1
SCHEMBL10041701 0.78 TDP1 (0.52) ERN1TDP1XDHS100A4ALDH1A1
SCHEMBL584206 0.78 ERN1 (0.52) ERN1TDP1VCAM1ALDH1A1KDM4E
SCHEMBL28711749 0.78 ERN1 (0.46) ERN1TDP1USP8ALDH1A1KDM4E
SCHEMBL29532956 0.78 ERN1 (0.46) ERN1TDP1USP8ALDH1A1KDM4E
SCHEMBL26635210 0.77 XDH (0.47) ERN1TDP1XDHHSD17B3VCAM1
SCHEMBL28533543 0.76 ALDH1A1 (0.47) ERN1TDP1XDHS100A4ALDH1A1
SCHEMBL11358448 0.74 TDP1 (0.55) ERN1TDP1VCAM1ALDH1A1KDM4E

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
CN-114276252-A Method for preparing 9-amino-10-alkynyl phenanthrene ring derivative 海南梵圣生物科技有限公司 2022-04-05 CN disclosed