SCHEMBL30913876

SCHEMBL30913876

C=Cc1ccc2sc3ccccc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
PTGIR P43119 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3056634 1.00 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL30050035 0.89 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL3555799 0.89 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL14436269 0.86 KDM4E (0.58) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL16709677 0.83 GPR3 (0.44) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL13766611 0.82 GPR3 (0.56) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL24285614 0.82 GPR3 (0.42) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL6860177 0.81 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL24508047 0.79 TP53 (0.47) ALDH1A1MAPTRAB9AHPGDKDM4E
SCHEMBL12675358 0.79 EPM2A (0.42) ALDH1A1MAPTHPGDKDM4EPTPN22

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-118108887-A Money metal complex luminous polymer and preparation method and application thereof 武汉大学 2024-05-31 CN disclosed