SCHEMBL20140586

SCHEMBL20140586

N#Cc1cccc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
CTSS P25774 3/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MGLL Q99685 1/20 0.40
TRPA1 O75762 1/20 0.40
LCAT P04180 1/20 0.40
CNR1 P21554 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PANK3 Q9H999 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
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
SCHEMBL3075144 0.95 PARP1 (0.42) PARP1CTSSGAAL3MBTL1MGLL
SCHEMBL2962315 0.80 SMN1; SMN2 (0.48) CTSSGAAL3MBTL1ALDH1A1LMNA
SCHEMBL26127143 0.79 CTSS (0.46) PARP1CTSSPANK3PARP2
SCHEMBL21730194 0.79 CTSS (0.46) PARP1CTSSL3MBTL1LCATCNR1
SCHEMBL29907703 0.79 CTSS (0.46) PARP1CTSSL3MBTL1LCATCNR1
SCHEMBL21730383 0.79 CTSS (0.46) PARP1CTSSLCATCNR1MEN1
SCHEMBL29907742 0.78 HTR3A (0.60) ALDH1A1TSHR
SCHEMBL3467768 0.78 HTR3A (0.60) ALDH1A1TSHR
SCHEMBL2949577 0.78 CTSS (0.45) PARP1CTSSL3MBTL1CNR1ALDH1A1
SCHEMBL19748343 0.78 PANK3 (0.59) PANK3

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed