SCHEMBL6849986

SCHEMBL6849986

Cc1ccc2c(c1)c(=O)n(C(c1ccc(CC(=O)O)cc1)N1CCSCC1)c1nncn21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.35
PTGER4 P35408 1/20 0.34
PARP15 Q460N3 2/20 0.31
PARP10 Q53GL7 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31
PARP2 Q9UGN5 2/20 0.31
PARP14 Q460N5 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6854194 0.92 APEX1 (0.36) APEX1PTGER4PARP15PARP10TNKS2
SCHEMBL6854073 0.81 APEX1 (0.37) APEX1PTGER4PARP15PARP10TNKS2
SCHEMBL6855394 0.73 SIGMAR1 (0.34) MEN1KMT2A
SCHEMBL6849953 0.71 CYP26A1 (0.33) MEN1KMT2ATSHRHTTNPSR1
SCHEMBL6849975 0.70 MAPT (0.46) APEX1TSHRHTTNPSR1KDM4E
SCHEMBL6854445 0.68 SLC6A2 (0.35) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8345163 0.65 SMN1; SMN2 (0.45) PARP15PARP10TNKS2PARP2PARP14
SCHEMBL6855259 0.65 USP14 (0.35)
SCHEMBL6855901 0.65 USP14 (0.38) SMN1; SMN2
SCHEMBL6856311 0.64 SMN1; SMN2 (0.33) PARP15PARP10TNKS2PARP2PARP14

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
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed