SCHEMBL25908259

SCHEMBL25908259

O=c1[nH]ncc(NC2CCCCC2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 10/20 0.49
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGDS O60760 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL24954404 0.93 TIPARP (0.52) TIPARPPARP1HDAC1HDAC6
SCHEMBL25912405 0.84 TIPARP (0.45) TIPARPPARP1
SCHEMBL26184588 0.78 TIPARP (0.45) TIPARPPDE3BPDE3APARP1KDM4E
SCHEMBL25010037 0.77 TIPARP (0.43) TIPARPPARP1
SCHEMBL25907829 0.74 TIPARP (0.47) TIPARP
SCHEMBL26298693 0.73 TIPARP (0.65) TIPARPPDE3BPDE3AKDM4EMEN1
SCHEMBL30196255 0.73 TIPARP (0.46) TIPARPPARP1HDAC1HDAC6
SCHEMBL9413547 0.71 ALDH1A1 (0.48) PARP1KDM4EMEN1APAF1ALDH1A1
SCHEMBL24640950 0.71 TIPARP (0.47) TIPARPPARP1
SCHEMBL28883351 0.71 PTGS1 (0.45) PTGS1PTGS2KDM4EMEN1MAPT

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-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed