SCHEMBL19251116

SCHEMBL19251116

CCC(C)(C)c1ccc2c(c1)C(=O)NCC2

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.64
PARP1 P09874 7/20 0.64
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
PARP11 Q9NR21 7/20 0.46
PDPK1 O15530 1/20 0.46
KDM4E B2RXH2 1/20 0.41
GRM5 P41594 2/20 0.39
PRF1 P14222 1/20 0.37

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
SCHEMBL19252597 0.85 MAPK1 (0.50) PARP10PARP1F7F3MAPK1
SCHEMBL12459041 0.84 PARP10 (0.71) PARP10PARP1F7F3NPC1
SCHEMBL19175829 0.80 MAPK1 (0.54) PARP10PARP1MAPK1NPC1LMNA
SCHEMBL12673265 0.79 SMN1; SMN2 (0.41) PARP10PARP1F7F3MAPK1
SCHEMBL792895 0.78 PARP10 (1.00) PARP10PARP1F7F3PARP11
SCHEMBL10272904 0.78 SMN1; SMN2 (0.46) PARP10PARP1MAPK1NPC1LMNA
SCHEMBL10061001 0.77 TDP2 (0.56) MAPK1NPC1LMNACASP3RAB9A
SCHEMBL12727793 0.76 NPC1 (0.50) PARP10MAPK1NPC1LMNACASP3
SCHEMBL8162850 0.75 PARP10 (0.63) PARP10PARP1F7F3MAPK1
SCHEMBL20747804 0.75 DRD2 (0.47) PARP10PARP1MAPK1NPC1LMNA

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
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed