SCHEMBL30899154

SCHEMBL30899154

c1ccc2c(c1)sc1ccc3ccc4sc5ccccc5c4c3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.56
MAPT P10636 6/20 0.46
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
DUSP3 P51452 1/20 0.46
BLM P54132 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
MCL1 Q07820 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
RAB9A P51151 4/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 6/20 0.41

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
SCHEMBL19109232 1.00 GPR3 (0.56) GPR3MAPTTDP1MEN1KMT2A
SCHEMBL30899153 1.00 GPR3 (0.56) GPR3MAPTTDP1MEN1KMT2A
SCHEMBL22011950 0.92 GPR3 (0.48) GPR3MAPTTDP1MEN1KMT2A
SCHEMBL1636538 0.91 GPR3 (0.68) GPR3MAPTTDP1MEN1KMT2A
SCHEMBL18767506 0.90 GPR3 (0.50) GPR3MAPTTDP1MEN1KMT2A
SCHEMBL22011945 0.89 GPR3 (0.50) GPR3MAPTTDP1MEN1KMT2A
SCHEMBL22011944 0.87 GPR3 (0.48) GPR3MAPTTDP1MEN1KMT2A
SCHEMBL24171817 0.86 GPR3 (0.52) GPR3MAPTTDP1MEN1KMT2A
SCHEMBL19109079 0.85 GPR3 (0.50) GPR3MAPTTDP1MEN1KMT2A
SCHEMBL19809944 0.85 GPR3 (0.45) GPR3MAPTTDP1MEN1KMT2A

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
CN-113195500-B Material for organic electroluminescent device 默克专利有限公司 2024-05-17 CN disclosed