SCHEMBL5182149

SCHEMBL5182149

COc1c(N2CC(C)N(C(=O)CN)C(C)C2)c(F)cc2c(=O)c(OC(=O)NCc3ccc(Cl)cc3Cl)cn(CC(F)(F)F)c12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.39
P2RX7 Q99572 3/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 1/20 0.36
HPGD P15428 2/20 0.34

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
SCHEMBL5237890 0.94 P2RX7 (0.39) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL12917473 0.91 TOP1 (0.46) TOP1P2RX7KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL965246 0.90 TOP1 (0.45) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL5276465 0.89 P2RX7 (0.40) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL5280703 0.89 KCNH2 (0.47) TOP1KDM4EALDH1A1LMNAPOLB
SCHEMBL12917243 0.85 TOP1 (0.43) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL966949 0.85 TOP1 (0.43) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL5275377 0.85 P2RX7 (0.37) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL13744618 0.83 TOP1 (0.45) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL5180014 0.83 KDM4E (0.47) KDM4EALDH1A1LMNAPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 EP disclosed
EP-1768973-A1 SUBSTITUTED QUINOLONES AiCuris GmbH & Co. KG (DE) 2007-04-04 EP disclosed
WO-2006008046-A1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO. KG (DE) 2006-01-26 WO disclosed