SCHEMBL6200591

SCHEMBL6200591

CCC(c1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1)C(CCCNC(=O)OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
P2RY2 P41231 1/20 0.34
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
GAA P10253 2/20 0.34
PPARA Q07869 1/20 0.33
S1PR3 Q99500 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CNR1 P21554 1/20 0.33
GLA P06280 1/20 0.32
PAX8 Q06710 1/20 0.32
LMNA P02545 2/20 0.32
NR3C1 P04150 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
SCHEMBL6667062 0.88 POLB (0.37) BRD4POLBMAPTKMT2ANPSR1
SCHEMBL6200596 0.85 BRD4 (0.37) BRD4POLBMAPTKMT2ANPSR1
SCHEMBL6201678 0.83 GAA (0.37) POLBMAPTACVR1BTGFBR1ACVRL1
SCHEMBL6197930 0.77 POLB (0.45) BRD4POLBMAPTKMT2ANPSR1
SCHEMBL6201682 0.76 GAA (0.36) POLBMAPTACVR1BTGFBR1ACVRL1
SCHEMBL6195418 0.76 TRPA1 (0.39) MAPTNPSR1ACVR1BTGFBR1ACVRL1
SCHEMBL6199942 0.76 NR3C1 (0.39) KMT2AMEN1PPARALMNANR3C1
SCHEMBL6671910 0.74 P2RX3 (0.36) POLBMAPTNPSR1ACVR1BTGFBR1
SCHEMBL6672316 0.72 NR3C1 (0.37) MAPTPPARALMNANR3C1THRB
Trifluoroacetic Acid SCHEMBL6672935 0.72 LMNA (0.36) POLBMAPTPPARACNR1LMNA

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