SCHEMBL8977464

SCHEMBL8977464

CC(C)(C)OC(=O)Nc1nc2ccc(C(NC(=O)OC(C)(C)C)C(=O)O)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.54
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 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
SCHEMBL4128434 0.87 LCK (0.56) LCKRAB9ANPC1KMT2AMEN1
SCHEMBL8977487 0.86 RAB9A (0.49) LCKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15887357 0.82 LCK (0.56) LCKRAB9ANPC1KMT2AMEN1
SCHEMBL558047 0.79 LCK (0.69) LCKRAB9ANPC1SMN1; SMN2CRBN
SCHEMBL2666847 0.79 DYRK1A (0.67) LCKRAB9A
SCHEMBL29506738 0.79 LCK (0.69) LCKRAB9ANPC1KMT2AMEN1
SCHEMBL17090573 0.79 LCK (0.69) LCKRAB9ANPC1KMT2AMEN1
SCHEMBL4137342 0.79 LCK (0.55) LCKRAB9ANPC1KMT2AMEN1
SCHEMBL9364669 0.79 IRAK4 (0.43) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL10627562 0.78 CTSS (0.43) RAB9ANPC1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0195947-B1 Beta-lactam antibiotics, process for their preparation and their use as and in medicaments BAYER AG (DE) 1996-04-24 EP disclosed
US-RE33948-E Bactericides, animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed