SCHEMBL13619437

SCHEMBL13619437

Bc1ccc(C(=O)NCCC=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.43
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL6539681 0.84 LMNA (0.51) LMNAPOLBALDH1A1HDAC2HDAC8
SCHEMBL13397452 0.82 CYP1A2 (0.53) LMNAPOLBALDH1A1MAPK1CYP1A2
SCHEMBL9625733 0.82 EPHX2 (0.51) LMNAPOLBALDH1A1MAPK1CYP1A2
SCHEMBL12144101 0.82 NPC1 (0.57) POLBALDH1A1MEN1KMT2ARAB9A
SCHEMBL12144080 0.82 LMNA (0.69) LMNAPOLBALDH1A1HDAC6TSHR
SCHEMBL28007671 0.81 LMNA (0.62) LMNAPOLBHDAC2HDAC8HDAC6
SCHEMBL6539725 0.79 POLB (0.62) LMNAPOLBALDH1A1TSHRMEN1
SCHEMBL6972889 0.79 LMNA (0.42) LMNAPOLBALDH1A1HDAC2HDAC8
SCHEMBL14232503 0.78 RAB9A (0.43) LMNAPOLBALDH1A1HDAC2HDAC8
SCHEMBL16907858 0.75 HPGD (0.66) ALDH1A1HDAC6MEN1KMT2ARAB9A

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
WO-2009140342-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2009-11-19 WO disclosed