SCHEMBL29609574

SCHEMBL29609574

S=C=Nc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.54
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
SLC22A3 O75751 1/20 0.48
PLAU P00749 1/20 0.48
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
CYP3A4 P08684 3/20 0.45
P2RY6 Q15077 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL180843 1.00 MIF (0.54) MIFHTR3EHTR3BHTR3AHTR3D
SCHEMBL8676885 0.89 MIF (0.44) MIFHTR3EHTR3BHTR3AHTR3D
SCHEMBL483888 0.84 MIF (0.67) MIFKMT2AMEN1MAPTCYP3A4
SCHEMBL11430455 0.82 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29116581 0.81 TRPV1 (0.43) MIFHTR3EHTR3BHTR3AHTR3D
Bitoscanate SCHEMBL11598436 0.79 MIF (0.68) MIFKMT2AMEN1MAPTCYP3A4
SCHEMBL30102029 0.79 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7870699 0.79 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7870702 0.79 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL58110 0.78 TDP1 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516848-B Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition 万华化学集团股份有限公司 2024-02-02 CN claimed
CN-114516848-A Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition 万华化学集团股份有限公司 2022-05-20 CN claimed
CN-114516848-B Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition 万华化学集团股份有限公司 2024-02-02 CN disclosed
CN-114516848-A Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition 万华化学集团股份有限公司 2022-05-20 CN disclosed