SCHEMBL7207451

SCHEMBL7207451

Cc1ccc(C(=O)CN2CCC(S)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 5/20 0.53
GRIN2B Q13224 1/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
AGTR1 P30556 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
TSHR P16473 1/20 0.42
CYP2J2 P51589 1/20 0.42
KDR P35968 1/20 0.41
GSK3B P49841 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6404799 0.85 HTR2A (0.54) KMT2AMEN1ALDH1A1GRIN2BDRD3
SCHEMBL6398067 0.85 ALDH1A1 (0.53) KMT2AALDH1A1GRIN2BLMNA
SCHEMBL6398065 0.85 ALDH1A1 (0.53) KMT2AALDH1A1GRIN2BLMNA
SCHEMBL6402005 0.85 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1GRIN2BMAPT
SCHEMBL6397229 0.84 KMT2A (0.59) KMT2AMEN1ALDH1A1GRIN2BMAPT
SCHEMBL4936082 0.76 MEN1 (0.75) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL24270959 0.76 MEN1 (0.56) KMT2AMEN1ALDH1A1GRIN2BLMNA
SCHEMBL6396558 0.74 KMT2A (0.48) KMT2AMEN1ALDH1A1GRIN2BLMNA
SCHEMBL6396562 0.74 KMT2A (0.48) KMT2AMEN1ALDH1A1GRIN2BLMNA
SCHEMBL14924456 0.73 MEN1 (1.00) KMT2AMEN1ALDH1A1MAPTLMNA

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
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed