SCHEMBL19951709

SCHEMBL19951709

CN(Cc1ccccc1C(F)(F)F)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.57
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
ATM Q13315 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 1/20 0.52
ACHE P22303 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.48
SLC6A2 P23975 8/20 0.47
SLC6A4 P31645 8/20 0.47
EPHX2 P34913 2/20 0.46
SLC6A3 Q01959 2/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL16268674 0.79 KDM4E (0.54) POLQKDM4EALDH1A1TDP1ATM
SCHEMBL5423901 0.78 NR1H2 (0.48) POLQGAAACHESLC6A2SLC6A4
SCHEMBL12831776 0.78 SLC6A4 (0.50) POLQACHESLC6A2SLC6A4SLC6A3
SCHEMBL11824058 0.75 AKR1B1 (0.53) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL16293742 0.75 RIPK1 (0.43) POLQKDM4EALDH1A1
SCHEMBL16269271 0.75 POLQ (0.46) POLQKDM4EALDH1A1TDP1ATM
SCHEMBL16269092 0.74 ACKR3 (0.51) POLQACHEMAOAMAOB
SCHEMBL20494540 0.74 NPC1 (0.46) KDM4EALDH1A1ATMMEN1KMT2A
SCHEMBL22651953 0.74 SLC6A2 (0.48) POLQKDM4EALDH1A1TDP1ATM
SCHEMBL322185 0.74 NPC1 (0.46) KDM4EALDH1A1ATMMEN1KMT2A

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-2018049152-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed