SCHEMBL26612945

SCHEMBL26612945

c1ccc2c3c(ccc2c1)Sc1ccc2ccccc2c1S3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 5/20 0.50
CYP2A6 P11509 4/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HIF1A Q16665 1/20 0.48
CYP1B1 Q16678 1/20 0.48
HPRT1 P00492 1/20 0.46
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
CYP1A2 P05177 4/20 0.41
PTPN22 Q9Y2R2 1/20 0.38
PAX8 Q06710 1/20 0.38
HPGD P15428 3/20 0.37
THRB P10828 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
SCHEMBL1796145 0.93 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29278598 0.92 HPRT1 (0.56) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL30320191 0.91 CYP2A6 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8208687 0.81 HPRT1 (0.54) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL24186616 0.80 MAPT (0.40) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL23144404 0.76 CYP2A6 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL23168619 0.74 CYP2A6 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL18165216 0.73 MAPT (0.59) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL23057646 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL31121328 0.73 HSD17B10 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024068860-A1 OLIGOMERIC BINAPHTYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-04-04 WO claimed
WO-2023208837-A1 OLIGOMERIC BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2023-11-02 WO claimed
WO-2023210833-A1 OLIGOMERIC BINAPHTYL COMPOUNDS AND THERMOPLASTIC RESINS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-11-02 WO claimed
WO-2023208837-A1 OLIGOMERIC BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2023-11-02 WO disclosed
WO-2023210833-A1 OLIGOMERIC BINAPHTYL COMPOUNDS AND THERMOPLASTIC RESINS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-11-02 WO disclosed