SCHEMBL22435657

SCHEMBL22435657

c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc(-c4ccccc4-c4ccccc4)cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F9 P00740 1/20 0.36
ALOX5 P09917 1/20 0.36
GPR3 P46089 1/20 0.35
ABCB1 P08183 1/20 0.32
LIMK1 P53667 2/20 0.32
PIM3 Q86V86 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTPN1 P18031 1/20 0.31
SLC9A1 P19634 1/20 0.30

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
SCHEMBL22435710 0.97 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL27270105 0.96 MAPT (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22435655 0.95 MAPT (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22435659 0.95 MAPT (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22435651 0.95 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22435708 0.94 ALDH1A1 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22435662 0.94 MAPT (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23605080 0.94 ALDH1A1 (0.38) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22435703 0.94 MAPT (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22435613 0.93 ALOX5 (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020185054-A9 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed
WO-2020185054-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-09-17 WO disclosed