SCHEMBL24905367

SCHEMBL24905367

c1ccc(-c2cccc3nc(-c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5ccccc54)cnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.40
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
JAK2 O60674 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MET P08581 1/20 0.33
KMT2A Q03164 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
SCHEMBL23814648 0.95 TOP1 (0.39) TOP1NPC1RAB9AJAK2SMN1; SMN2
SCHEMBL24139170 0.87 TOP1 (0.40) TOP1NPC1RAB9AJAK2SMN1; SMN2
SCHEMBL24905369 0.86 NPC1 (0.47) NPC1RAB9AJAK2SMN1; SMN2PDGFRB
SCHEMBL24138604 0.84 TOP1 (0.39) TOP1NPC1RAB9AJAK2SMN1; SMN2
SCHEMBL24139288 0.83 TOP1 (0.37) TOP1NPC1RAB9AJAK2KDR
SCHEMBL20619889 0.80 TOP1 (0.40) TOP1NPC1RAB9AJAK2SMN1; SMN2
SCHEMBL21578287 0.80 TOP1 (0.39) TOP1NPC1RAB9AJAK2SMN1; SMN2
SCHEMBL21658520 0.78 MEN1 (0.39) SMN1; SMN2ALDH1A1GLAMAPTKMT2A
SCHEMBL21658184 0.77 MEN1 (0.39) SMN1; SMN2ALDH1A1GLAGAAMAPT
SCHEMBL24149300 0.77 NPC1 (0.47) NPC1RAB9AJAK2SMN1; SMN2PDGFRB

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