SCHEMBL2011394

SCHEMBL2011394

O=C(O)CC(SSc1cccnc1)N1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.36
ITGAV P06756 12/20 0.36
ITGA2B P08514 6/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL9398036 0.88 ITGB3 (0.40) ITGB3ITGAVITGA2BKMT2AATM
SCHEMBL6687766 0.77 ALDH1A1 (0.42) KMT2AATMALDH1A1PKML3MBTL1
SCHEMBL1477670 0.76 ALDH1A1 (0.49) NAPRTALDH1A1PKML3MBTL1KDM4E
SCHEMBL9607 0.75 KMT2A (0.43) KMT2AATMALDH1A1PKM
SCHEMBL9398017 0.72 ALDH1A1 (0.48) KMT2AALDH1A1PKML3MBTL1KDM4E
SCHEMBL10980060 0.70 KMT2A (0.38) KMT2AATMALDH1A1PKM
SCHEMBL616909 0.68 ALDH1A1 (0.43) KMT2AATMALDH1A1PKML3MBTL1
SCHEMBL28946087 0.67 LMNA (0.44) KMT2ANAPRTALDH1A1L3MBTL1KDM4E
SCHEMBL1477669 0.67 SLC22A12 (0.36) KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL8082242 0.66 EHMT2 (0.38) KMT2AALDH1A1PKML3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011072627-A2 DENDRITIC HIGH-MOLECULAR-WEIGHT POLYMER DRUG CARRIERS AND THEIR CONJUGATES WITH DRUGS ESPECIALLY FOR TREATMENT OF SOLID TUMOURS USTAV MAKROMOLEKULARNI CHEMIE AV CR, V.V.I. (CZ) 2011-06-23 WO disclosed