SCHEMBL21763750

SCHEMBL21763750

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR3 P46089 1/20 0.45
F9 P00740 1/20 0.43
ALOX5 P09917 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 1/20 0.36
SLC9A1 P19634 1/20 0.36
LIMK1 P53667 4/20 0.35
PIM3 Q86V86 1/20 0.34
CHEK1 O14757 1/20 0.34
WEE1 P30291 1/20 0.34

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
SCHEMBL20650211 0.95 ALDH1A1 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21763756 0.94 ALDH1A1 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21866684 0.93 GPR3 (0.52) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL30477722 0.93 GPR3 (0.52) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21763770 0.91 F9 (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21763761 0.90 ALOX5 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24106992 0.90 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21020081 0.90 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17264020 0.88 F9 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21393994 0.87 PIM3 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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
WO-2020040514-A1 ORGANIC LIGHT EMITTING DIODE 주식회사 엘지화학 2020-02-27 WO disclosed