SCHEMBL206833

SCHEMBL206833

CN(C)CC(=O)N1CCCC(c2nc3cccc(C(N)=O)c3o2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
HSD11B1 P28845 7/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 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
SCHEMBL206544 0.86 PARP1 (0.43) PARP1HSD11B1
SCHEMBL206489 0.81 PARP1 (0.50) PARP1
SCHEMBL206737 0.79 LCK (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL205914 0.77 TLR9 (0.47) PARP1
SCHEMBL205786 0.74 PARP1 (0.49) PARP1LMNASMN1; SMN2ALDH1A1
SCHEMBL203957 0.74 PARP1 (0.57) PARP1LMNAPOLB
SCHEMBL207485 0.72 PARP1 (0.50) PARP1LMNAPOLB
SCHEMBL205132 0.72 PARP1 (0.55) PARP1
SCHEMBL205714 0.71 PARP1 (0.49) PARP1LMNAPOLB
SCHEMBL206528 0.71 SMN1; SMN2 (0.53) LMNAPOLBRAB9ANPC1HPGD

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
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US claimed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed