SCHEMBL4785013

SCHEMBL4785013

O=CNc1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.56
PARP10 Q53GL7 2/20 0.56
NAMPT P43490 1/20 0.52
NPC1 O15118 2/20 0.51
MGLL Q99685 4/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
SLC18A3 Q16572 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD11B1 P28845 1/20 0.47

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
SCHEMBL19387636 0.86 TPSAB1 (0.52) PARP14PARP10
SCHEMBL10720101 0.84 PARP14 (0.65) PARP14PARP10NAMPTNPC1MGLL
SCHEMBL4785020 0.82 PARP14 (0.60) PARP14PARP10NAMPTNPC1MGLL
SCHEMBL3379832 0.81 PARP1 (0.53) PARP14PARP10NAMPTNPC1CA12
SCHEMBL26315228 0.80 L3MBTL3 (0.64) PARP14PARP10NAMPTNPC1MGLL
SCHEMBL4206605 0.80 CA12 (0.71) PARP14PARP10NAMPTNPC1CA12
SCHEMBL14368303 0.78 SIGMAR1 (0.56)
SCHEMBL27308613 0.78 KMT2A (0.45) MGLLLMNAKDM4EALDH1A1TSHR
SCHEMBL14368302 0.78 EPHX2 (0.57) ALDH1A1TSHRTP53
SCHEMBL1197337 0.78 PARP14 (0.59) PARP14PARP10NAMPTNPC1MGLL

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-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed