SCHEMBL9334598

SCHEMBL9334598

[CH2]Sc1nnnn1CCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.34
HTT P42858 1/20 0.34
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 5/20 0.33
USP2 O75604 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL9334609 0.83 KMT2A (0.65) KMT2ALMNAHSD17B10CYP1A2HTT
SCHEMBL4597740 0.83 KMT2A (0.36) KMT2ALMNAHSD17B10CYP1A2HTT
SCHEMBL9487023 0.80 KMT2A (0.39) KMT2ALMNAHSD17B10CYP1A2HTT
SCHEMBL4597338 0.78 CYP1A2 (0.55) KMT2ALMNAHSD17B10CYP1A2HTT
SCHEMBL9331808 0.75 LMNA (0.43) KMT2ALMNAHSD17B10CYP1A2HTT
SCHEMBL3961611 0.74 CYP1A2 (0.33) HSD17B10CYP1A2
SCHEMBL6928209 0.73 KMT2A (0.48) KMT2ALMNAHSD17B10CYP1A2HTT
SCHEMBL11689701 0.73 KMT2A (0.53) KMT2ALMNAHSD17B10CYP1A2HTT
SCHEMBL11502526 0.72 CYP1A2 (0.32) HSD17B10CYP1A2
SCHEMBL10796862 0.70 KMT2A (0.55) KMT2ALMNAHSD17B10CYP1A2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289002-B1 Novel cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA (JP) 1994-10-26 EP disclosed
EP-0315997-B1 Cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA (JP) 1994-04-20 EP disclosed
US-5028601-A Substituted with an amino thiazole group and a dihydroxy-pyridone group MEIJI SAIKA KAISHA, LTD. (JP) 1991-07-02 US disclosed
US-4971961-A ANTIBIOTICS AS BACTERICIDES AGAINST PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 1990-11-20 US disclosed
EP-0315997-A2 Cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA LTD. (JP) 1989-05-17 EP disclosed
US-4758557-A Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA, LTD. (JP) 1988-07-19 US disclosed