SCHEMBL24544697

SCHEMBL24544697

Cc1ccc2sc3cc(-c4cc(I)c5c(c4)sc4ccccc45)ccc3c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 4/20 0.36
GPR3 P46089 1/20 0.36
POLB P06746 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
DUSP3 P51452 2/20 0.32
PTPN7 P35236 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL24221746 0.87 MAPT (0.40) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL20156869 0.81 MAPT (0.41) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL10133864 0.80 BCL2L1 (0.38) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL19010386 0.79 LIMK1 (0.41) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL6130182 0.79 GPR3 (0.54) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL21215402 0.79 LIMK1 (0.34) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL22725239 0.78 MAPT (0.39) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL15315604 0.77 ALDH1A1 (0.37) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL9917122 0.77 GPR3 (0.52) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL9917189 0.77 GPR3 (0.52) MAPTALDH1A1RAB9ASMN1; SMN2HPGD

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-2022131757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-23 WO disclosed
WO-2022131869-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-23 WO disclosed