SCHEMBL27362419

SCHEMBL27362419

C1=C=Cc2c(sc3ccccc23)C=1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 3/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
DDAH1 O94760 1/20 0.32
CASP3 P42574 1/20 0.32
HTT P42858 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
LIMK1 P53667 2/20 0.32
MCL1 Q07820 1/20 0.32
IKBKB O14920 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
SCHEMBL26348428 0.83 GPR3 (0.46) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL6545120 0.71 GPR3 (0.52) GPR3ALDH1A1MAPTRAB9AHPGD
Dibenzothiophene SCHEMBL28138470 0.69 GPR3 (0.93) GPR3ALDH1A1MAPTRAB9AHPGD
Dibenzothiophene SCHEMBL28226769 0.66 GPR3 (0.88) GPR3ALDH1A1MAPTRAB9AHPGD
Dibenzothiophene SCHEMBL28227583 0.66 GPR3 (0.88) GPR3ALDH1A1MAPTRAB9AHPGD
Dibenzothiophene SCHEMBL13294 0.66 GPR3 (1.00) GPR3ALDH1A1MAPTRAB9AHPGD
Dibenzothiophene SCHEMBL14659543 0.66 GPR3 (1.00) GPR3ALDH1A1MAPTRAB9AHPGD
Dibenzothiophene SCHEMBL30167635 0.66 GPR3 (1.00) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL23799239 0.64 GPR3 (0.39) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL19721212 0.64 GPR3 (0.43) GPR3ALDH1A1MAPTRAB9AHPGD

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-2024085676-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 솔루스첨단소재 주식회사 2024-04-25 WO disclosed