SCHEMBL28537199

SCHEMBL28537199

COC(=O)C(CS)NC(=O)OCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACE P12821 1/20 0.31
KYNU Q16719 1/20 0.31
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL16862569 1.00 KDM4E (0.33) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16862495 0.87 MAPT (0.49) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20338032 0.87 MAPT (0.49) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7032142 0.85 MME (0.36) THRBKYNUITGB3ITGA2BTAS1R3
SCHEMBL7328622 0.84 TAS1R3 (0.46) SMN1; SMN2TAS1R3TAS1R1
SCHEMBL23781491 0.83 CHRNB2 (0.35)
SCHEMBL20338029 0.83 CASP1 (0.36) KYNUITGB3ITGA2BATM
SCHEMBL17841822 0.83 CASP1 (0.36) KYNUITGB3ITGA2BATM
SCHEMBL16862539 0.83 CHRNB2 (0.35)
SCHEMBL16862526 0.81 ITGB3 (0.32) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109310781-B Specific antibody-drug-conjugates (ADC) having a KSP inhibitor and an anti-CD 123-antibody 拜耳制药股份公司 2024-06-18 CN disclosed
CN-110312533-B Prodrugs of cytotoxic active agents having enzymatically cleavable groups 拜耳公司 2023-11-03 CN disclosed
CN-116059390-A Prodrugs of cytotoxic actives with enzymatically cleavable groups 拜耳制药股份公司 2023-05-05 CN disclosed
CN-110072556-B Specific Antibody Drug Conjugates (ADC) with KSP inhibitors 拜耳制药股份公司 2023-05-02 CN disclosed
CN-114917361-A Antibody Drug Conjugates (ADC) and antibody prodrug conjugates (APDC) with enzyme cleavable groups 拜耳医药股份有限公司 2022-08-19 CN disclosed
CN-107635586-B Antibody-drug conjugates (ADC) of KSP inhibitors with aglycosylated anti-TWEAKR antibodies 拜耳医药股份有限公司 2021-09-24 CN disclosed
CN-106163568-B Antibody Drug Conjugates (ADC) containing spindle Kinesin (KSP) 拜耳制药股份公司 2021-03-23 CN disclosed