SCHEMBL27565798

SCHEMBL27565798

CCOc1cc(NC(=O)O)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
POLB P06746 2/20 0.51
GLA P06280 1/20 0.51
P2RY12 Q9H244 1/20 0.51
RAB9A P51151 3/20 0.48
SLC2A1 P11166 1/20 0.47
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NCF1 P14598 1/20 0.45
NPC1 O15118 3/20 0.45
PDE10A Q9Y233 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL7811057 0.82 KDM4E (0.48) KDM4EPOLBGLAP2RY12RAB9A
SCHEMBL18528819 0.78 ALOX15 (0.70) KDM4EP2RY12RAB9ATP53LMNA
SCHEMBL31389285 0.78 ALOX15 (0.70) KDM4EP2RY12RAB9ATP53LMNA
SCHEMBL31389238 0.78 ALOX15 (0.57) KDM4EP2RY12TP53LMNASMN1; SMN2
SCHEMBL423902 0.77 CYP1A2 (0.55) P2RY12TP53SMN1; SMN2NCF1
SCHEMBL7815368 0.77 KDM4E (0.54) KDM4EPOLBP2RY12RAB9ASLC2A1
SCHEMBL17433772 0.76 PDE10A (0.54) KDM4EPOLBGLARAB9ASMN1; SMN2
SCHEMBL7805302 0.75 NCF1 (0.48) KDM4ERAB9ASLC2A1SMN1; SMN2MEN1
SCHEMBL13036676 0.74 ALOX15 (0.60) KDM4ESLC2A1LMNASMN1; SMN2MEN1
SCHEMBL4273454 0.74 NCF1 (0.52) KDM4EPOLBRAB9ATP53LMNA

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
CN-1307565-A Quinolones used as MRS inhibitor and bactericides SMITHKLINE BEECHAM PLC (GB) 2001-08-08 CN disclosed