SCHEMBL21907282

SCHEMBL21907282

Cc1cc(C(F)(F)F)cc(CNC=O)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.34
POLQ O75417 2/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.32
PHGDH O43175 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SORT1 Q99523 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FBP1 P09467 1/20 0.32
SLC2A1 P11166 1/20 0.32
GLS O94925 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31

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
SCHEMBL19534277 0.81 TACR1 (0.36) TACR1SMN1; SMN2KDM4E
SCHEMBL21907306 0.80 NOS1 (0.37) TACR1KMT2AHTTKDM4EMEN1
SCHEMBL18132199 0.77 GAA (0.40) KMT2AGAASMN1; SMN2KDM4EMEN1
SCHEMBL12585927 0.74 NOS3 (0.38) POLQPSEN1PSEN2APH1BNCSTN
SCHEMBL6794970 0.73 HSP90AA1 (0.36) TACR1POLQKMT2AGAASORT1
SCHEMBL18352285 0.73 HSP90AA1 (0.40) POLQHSD17B10HSP90AA1HSP90AB1
SCHEMBL18357827 0.72 CACNA1B (0.54) TACR1KDM4EFBP1
Hydrochloric Acid SCHEMBL29351155 0.71 HSP90AA1 (0.39) POLQHSD17B10HSP90AA1HSP90AB1
SCHEMBL10025587 0.71 HSP90AA1 (0.46) GAAHTTSMN1; SMN2SORT1HSD17B10
SCHEMBL17396787 0.71 KDM4E (0.48) POLQKMT2AGAAKDM4EMEN1

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
EP-3316887-B1 GLS1 INHIBITORS FOR TREATING DISEASE UNIV TEXAS (US) 2020-04-08 EP disclosed