SCHEMBL13272425

SCHEMBL13272425

Cc1ncccc1C(=O)N1CCC[C@H]1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.47
POLB P06746 1/20 0.45
HSD11B1 P28845 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PDE2A O00408 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
P2RX7 Q99572 1/20 0.43
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
HCRTR2 O43614 4/20 0.41
HCRTR1 O43613 3/20 0.41
TSHR P16473 1/20 0.39

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
SCHEMBL5909267 0.83 KMT2A (0.53) POLBHSD11B1TDP1MEN1KMT2A
SCHEMBL8288851 0.83 PREP (0.52) PREPP2RX7
SCHEMBL27896422 0.81 TDP1 (0.42) POLBHSD11B1TDP1MEN1KMT2A
SCHEMBL12031768 0.79 PREP (0.50) PREPP2RX7CHRNB1CHRNB2CHRNB4
SCHEMBL6265889 0.79 HSD11B1 (0.56) HSD11B1
SCHEMBL17600705 0.79 LMNA (0.53) POLBRAB9AHCRTR2HCRTR1
SCHEMBL17600704 0.79 LMNA (0.53) POLBRAB9AHCRTR2HCRTR1
SCHEMBL25796211 0.77 L3MBTL1 (0.53) PREPMEN1KMT2AALDH1A1CHRNB2
SCHEMBL7960177 0.77 TDP1 (0.48) POLBTDP1MEN1KMT2APDE2A
SCHEMBL8635649 0.76 PREP (0.45) PREPPOLBHSD11B1MEN1KMT2A

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-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed