SCHEMBL14686182

SCHEMBL14686182

O=C(O)Oc1cnc2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.43
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 4/20 0.41
F2 P00734 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FEN1 P39748 1/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN7 P35236 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL38652754 0.79 ACP1 (0.39) ACP1LMNAKDM4EALDH1A1HTT
SCHEMBL2345799 0.77 MGAM (0.57) KMT2ALMNAKDM4EALDH1A1F2
SCHEMBL18796126 0.77 RIPK1 (0.47) LMNAALDH1A1FEN1HTTL3MBTL1
SCHEMBL5012780 0.76 CYP1A2 (0.47) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL11435205 0.75 ALDH1A1 (0.38) ALDH1A1F2GLAHPGD
Hydrochloric Acid SCHEMBL10911345 0.75 MGAM (0.56) KMT2ALMNAKDM4EALDH1A1F2
SCHEMBL5267380 0.75 ALDH1A1 (0.68) KMT2ALMNAMEN1KDM4EALDH1A1
SCHEMBL30392839 0.75 MGAM (0.59) ACP1KMT2ALMNAMEN1KDM4E
SCHEMBL124592 0.75 MGAM (0.59) ACP1KMT2ALMNAMEN1KDM4E
SCHEMBL4293313 0.74 PDE4A (0.46) ACP1METAP2METAP1FEN1

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
EP-1678174-B1 PROCESS FOR PREPARING 7-CHLORO-1-CYCLOPROPYL-6-FLUORO-4-OXO-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID LG LIFE SCIENCES LTD (KR) 2013-02-13 EP claimed