SCHEMBL9536041

SCHEMBL9536041

CCOC(=O)c1cn(-c2ccccc2)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
GABRA2 P47869 4/20 0.45
GABRB2 P47870 4/20 0.45
PIM1 P11309 1/20 0.45
IRAK1 P51617 1/20 0.45
CAMK2B Q13554 1/20 0.45
CAMK2G Q13555 1/20 0.45
CAMK2D Q13557 1/20 0.45
PIM3 Q86V86 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 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
SCHEMBL8091107 0.92 NPC1 (0.48) NPC1GABRA2GABRB2ALDH1A1LMNA
SCHEMBL19986908 0.88 ALDH1A1 (0.49) NPC1PIM1IRAK1CAMK2BCAMK2G
SCHEMBL10587033 0.88 GABRA2 (0.41) NPC1GABRA2GABRB2ALDH1A1TSHR
SCHEMBL3236130 0.85 KMT2A (0.48) NPC1ALDH1A1LMNAMAPTSTAT3
SCHEMBL7008116 0.85 KDM4E (0.46) NPC1GABRA2GABRB2ALDH1A1LMNA
SCHEMBL7012691 0.85 EPHA2 (0.45) PIM1ALDH1A1LMNAHTTKMT2A
SCHEMBL7009999 0.84 STAT3 (0.48) NPC1ALDH1A1LMNAMAPTSTAT3
SCHEMBL21640202 0.84 CYP2C19 (0.42) NPC1GABRA2GABRB2PIM1IRAK1
SCHEMBL10716058 0.84 STAT3 (0.44) NPC1PIM1IRAK1CAMK2BCAMK2G
SCHEMBL7007886 0.84 MAPT (0.44) NPC1GABRA2GABRB2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153580-B2 NAPHTHYRIDINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1993-03-17 EP disclosed
US-4956465-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 US disclosed
EP-0153580-B1 NAPHTHYRIDINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1989-01-25 EP disclosed
EP-0153580-A1 Naphthyridine antibacterial compounds ABBOTT LABORATORIES (US) 1985-09-04 EP disclosed