SCHEMBL6200596

SCHEMBL6200596

CC(C)(C)OC(=O)NCCCC(CCCc1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1)C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
P2RY2 P41231 1/20 0.34
GAA P10253 3/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
PAX8 Q06710 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL6197930 0.85 POLB (0.45) BRD4POLBMAPTKMT2ANPSR1
SCHEMBL6200591 0.85 BRD4 (0.36) BRD4POLBMAPTKMT2ANPSR1
SCHEMBL6201682 0.85 GAA (0.36) POLBMAPTACVR1BTGFBR1ACVRL1
SCHEMBL6195418 0.84 TRPA1 (0.39) MAPTNPSR1ACVR1BTGFBR1ACVRL1
SCHEMBL6667062 0.82 POLB (0.37) BRD4POLBMAPTKMT2ANPSR1
SCHEMBL6199818 0.79 EGLN1 (0.40) NPSR1LMNAEGLN1
SCHEMBL6203054 0.78 EGLN1 (0.38) NPSR1LMNAEGLN1
SCHEMBL6199949 0.78 LMNA (0.39) NPSR1LMNAEGLN1
SCHEMBL6201678 0.77 GAA (0.37) POLBMAPTACVR1BTGFBR1ACVRL1
SCHEMBL6200535 0.77 EGLN1 (0.42) POLBMAPTKMT2AMEN1KDM4E

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-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP claimed