SCHEMBL30403155

SCHEMBL30403155

COc1ccc(COc2ccc3oc(-c4ccc[n+](O)c4)nc3c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 3/20 0.42
PTPN1 P18031 3/20 0.42
PTPN5 P54829 3/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 4/20 0.42
TP53 P04637 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE10A Q9Y233 1/20 0.40
MAPT P10636 8/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL29000641 1.00 PTPN2 (0.42) PTPN2PTPN1PTPN5ALDH1A1HPGD
SCHEMBL21572848 0.89 ALDH1A1 (0.43) PTPN2PTPN1PTPN5ALDH1A1HPGD
SCHEMBL29681323 0.89 PTPN2 (0.42) PTPN2PTPN1PTPN5ALDH1A1HPGD
SCHEMBL17544622 0.89 PTPN2 (0.42) PTPN2PTPN1PTPN5ALDH1A1HPGD
SCHEMBL23633322 0.82 SMN1; SMN2 (0.58) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL17544356 0.82 MAPT (0.55) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL30402272 0.82 MAPT (0.55) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL29681162 0.82 MAPT (0.55) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL17544797 0.82 HSD17B10 (0.53) PTPN2PTPN1PTPN5ALDH1A1HPGD
SCHEMBL17544578 0.82 ALDH1A1 (0.53) PTPN2PTPN1PTPN5ALDH1A1HPGD

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
CN-116655618-A Probes for imaging huntingtin CHDI基金会股份有限公司 2023-08-29 CN disclosed
CN-107108534-B Probes for imaging huntingtin CHDI基金会股份有限公司 2023-05-09 CN disclosed