SCHEMBL22011055

SCHEMBL22011055

CC(Nc1cc(Br)cnc1N)C(O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.39
LDHB P07195 3/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 4/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MET P08581 1/20 0.33
MAP4K4 O95819 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL28609306 0.87 KMT2A (0.40) LDHALDHBKMT2AHTTMEN1
SCHEMBL22011048 0.83 HSD17B10 (0.42) KMT2AHTTMEN1NPC1ALDH1A1
SCHEMBL19836479 0.80 KMT2A (0.50) LDHALDHBKMT2AHTTMEN1
SCHEMBL23532176 0.76 AAK1 (0.42)
SCHEMBL22010535 0.75 LDHA (0.37) LDHALDHBKMT2AHTTMEN1
Hydrochloric Acid SCHEMBL21963994 0.74 LDHA (0.37) LDHALDHBKMT2AHTTMEN1
SCHEMBL25299222 0.73 KMT2A (0.47) LDHALDHBKMT2AHTTMEN1
SCHEMBL21963969 0.72 KMT2A (0.37) LDHALDHBKMT2AHTTMEN1
SCHEMBL22010774 0.72 KMT2A (0.37) LDHALDHBKMT2AHTTMEN1
SCHEMBL30161448 0.72 KMT2A (0.37) LDHALDHBKMT2AHTTMEN1

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-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed