SCHEMBL16175481

SCHEMBL16175481

O=C(Nc1cccc(Cl)c1)ON1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 3/20 0.43
APAF1 O14727 2/20 0.43
RECQL P46063 2/20 0.43
PABPC1 P11940 1/20 0.43
GRK2 P25098 1/20 0.43
MCL1 Q07820 1/20 0.43
EIF4H Q15056 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 2/20 0.42
DNMT1 P26358 1/20 0.42
APEX1 P27695 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL16175545 0.94 CA1 (0.44) POLBTDP1MAPTAPAF1RECQL
SCHEMBL5014517 0.94 CA1 (0.42) POLBTDP1MAPTAPAF1RECQL
SCHEMBL16175663 0.92 MAPT (0.43) POLBTDP1MAPTAPAF1RECQL
SCHEMBL5011290 0.92 POLB (0.43) POLBTDP1MAPTAPAF1RECQL
SCHEMBL5012241 0.91 ALDH1A1 (0.43) POLBTDP1MAPTAPAF1RECQL
SCHEMBL5012284 0.91 MAPT (0.42) POLBTDP1MAPTAPAF1RECQL
SCHEMBL5012723 0.91 MAPT (0.44) POLBTDP1MAPTAPAF1RECQL
SCHEMBL16175479 0.90 TDP1 (0.48) POLBTDP1MAPTAPAF1RECQL
SCHEMBL16175678 0.90 KDM4E (0.40) POLBTDP1MAPTAPAF1RECQL
SCHEMBL16175701 0.89 POLB (0.45) POLBTDP1MAPTAPAF1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed