SCHEMBL25007980

SCHEMBL25007980

Nc1ccc2sc3ccccc3c2c1S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
DUSP3 P51452 1/20 0.41
BLM P54132 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
MCL1 Q07820 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
NPC1 O15118 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL1503449 0.81 GPR3 (0.50) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL7075259 0.81 GPR3 (0.50) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL3885467 0.78 GPR3 (0.46) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL25008304 0.78 GPR3 (0.46) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL5120258 0.78 GPR3 (0.46) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL1636538 0.77 GPR3 (0.68) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL29671007 0.76 GPR3 (0.54) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL3292566 0.76 GPR3 (0.54) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL5111810 0.74 GPR3 (0.42) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL16985163 0.73 GPR3 (0.62) GPR3MAPTALDH1A1HPGDRAB9A

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
WO-2023012711-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-02-09 WO disclosed