SCHEMBL30916807

SCHEMBL30916807

Brc1ccccc1-c1cccc2sc3ccccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
BRDT Q58F21 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
DUSP3 P51452 1/20 0.37
BLM P54132 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
MCL1 Q07820 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN1 P18031 1/20 0.37
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16855622 1.00 GPR3 (0.46) GPR3BRDTHKDC1ALDH1A1MAPK1
SCHEMBL30550557 0.88 GPR3 (0.59) GPR3BRDTALDH1A1MAPK1MAPT
SCHEMBL16553298 0.88 GPR3 (0.59) GPR3BRDTALDH1A1MAPK1MAPT
SCHEMBL16670320 0.86 GPR3 (0.56) GPR3BRDTHKDC1ALDH1A1MAPK1
SCHEMBL21742743 0.85 ALDH1A1 (0.44) GPR3BRDTHKDC1ALDH1A1MAPK1
SCHEMBL29869583 0.84 GPR3 (0.54) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL29520053 0.84 GPR3 (0.54) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL7912643 0.84 GPR3 (0.54) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL21622585 0.83 GPR3 (0.41) GPR3BRDTHKDC1MAPTMEN1
SCHEMBL18034336 0.82 KDM4E (0.45) GPR3BRDTHKDC1ALDH1A1MAPT

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-118126004-A Spirobifluorene derivative-based materials for electronic devices 默克专利有限公司 2024-06-04 CN disclosed