SCHEMBL21763756

SCHEMBL21763756

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR3 P46089 1/20 0.42
ALOX5 P09917 1/20 0.41
F9 P00740 1/20 0.38
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
LIMK1 P53667 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIM3 Q86V86 1/20 0.35
PTPN1 P18031 5/20 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
SCHEMBL21763750 0.94 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21763761 0.93 ALOX5 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20650211 0.92 ALDH1A1 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17264020 0.91 F9 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24106992 0.90 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21020081 0.90 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17449905 0.89 ALDH1A1 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20650566 0.89 ALDH1A1 (0.50) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22062654 0.89 ALDH1A1 (0.50) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21763770 0.88 F9 (0.43) 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