SCHEMBL22329342

SCHEMBL22329342

c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
LIMK1 P53667 1/20 0.36
PIK3CA P42336 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
F9 P00740 1/20 0.36
ALOX5 P09917 1/20 0.36
PIM3 Q86V86 1/20 0.36
GPR3 P46089 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
MCL1 Q07820 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL25944246 0.99 ALDH1A1 (0.36) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL21149140 0.99 ALDH1A1 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL26080442 0.97 ALDH1A1 (0.37) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL25944419 0.97 ALDH1A1 (0.37) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL25644274 0.97 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL22700329 0.96 F9 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL22700341 0.96 F9 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL21149220 0.95 ALDH1A1 (0.35) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL26080609 0.95 F9 (0.37) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL22329289 0.95 LIMK1 (0.38) ALDH1A1MAPTHPGDLIMK1PIK3CA

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
US-11581494-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-02-14 US disclosed
US-20200259098-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2020-08-13 US disclosed