SCHEMBL16175657

SCHEMBL16175657

CSc1ccc(NC(=O)ON2CCC3(CC2)CC(c2ccc(Cl)cc2)=NO3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
POLB P06746 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
APAF1 O14727 2/20 0.37
RECQL P46063 2/20 0.37
PABPC1 P11940 1/20 0.37
GRK2 P25098 1/20 0.37
MCL1 Q07820 1/20 0.37
EIF4H Q15056 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
GSK3B P49841 1/20 0.36
DNMT1 P26358 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL16175678 0.92 KDM4E (0.40) KDM4EPOLBTDP1APAF1RECQL
SCHEMBL5012960 0.92 KMT2A (0.38) KMT2AMAPTNPC1ALDH1A1
SCHEMBL5015776 0.91 HTT (0.38) KDM4EPOLBTDP1APAF1GRK2
SCHEMBL16175594 0.90 KDM4E (0.41) KDM4EPOLBTDP1APAF1RECQL
SCHEMBL5011233 0.90 KDM4E (0.41) KDM4EPOLBTDP1APAF1RECQL
SCHEMBL16175731 0.89 MAPT (0.44) KDM4EPOLBTDP1APAF1RECQL
SCHEMBL5012833 0.89 FAAH (0.35) POLBNPSR1KMT2AHTTAPOBEC3G
SCHEMBL5012289 0.88 EPHX2 (0.36) MAPT
SCHEMBL16175763 0.88 MAOB (0.39) KDM4EKMT2ACYP3A4MAPT
SCHEMBL16175658 0.88 KMT2A (0.49) KDM4EPOLBTDP1KMT2ACYP3A4

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