SCHEMBL24905253

SCHEMBL24905253

c1ccc(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK2 Q15119 2/20 0.32
GPR3 P46089 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL17550834 0.97 PDK2 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24646995 0.96 PDK2 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18027556 0.94 ALDH1A1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25563365 0.94 ALDH1A1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21558951 0.94 PDK2 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21558942 0.94 PDK2 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24904726 0.93 PDK2 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19218484 0.93 ALDH1A1 (0.34) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19218470 0.93 ALDH1A1 (0.34) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17412434 0.93 ALDH1A1 (0.35) 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
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed