SCHEMBL3395850

SCHEMBL3395850

CN(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(-c2ccc(B(O)O)cc2)o1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 6/20 0.59
SCN10A Q9Y5Y9 1/20 0.41
ABCB1 P08183 1/20 0.39
PRMT6 Q96LA8 1/20 0.38
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
PTGER4 P35408 1/20 0.35
TSHR P16473 1/20 0.35
SERPINE1 P05121 1/20 0.35
ACHE P22303 2/20 0.34
LSS P48449 1/20 0.34
BCHE P06276 1/20 0.34
PIM1 P11309 1/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL3392207 0.85 PRMT1 (0.62) PRMT1SCN10AABCB1PRMT6SLC6A4
SCHEMBL3395465 0.85 SLC6A4 (0.47) PRMT6SLC6A4TSHRSERPINE1ACHE
SCHEMBL3398483 0.78 ERCC5 (0.39) PRMT1PRMT6SLC6A4PTGER4SERPINE1
SCHEMBL3709650 0.76 PRMT1 (0.51) PRMT1SCN10AABCB1PRMT6HTR6
Hydrochloric Acid SCHEMBL3398629 0.75 PRMT1 (0.52) PRMT1SCN10AABCB1PRMT6TSHR
SCHEMBL13074386 0.74 SLC6A4 (0.57) PRMT1PRMT6SLC6A4TSHRSERPINE1
Trifluoroacetic Acid SCHEMBL3398116 0.74 PRMT1 (0.47) PRMT1SCN10AABCB1PTGER4SERPINE1
SCHEMBL3398119 0.73 PRMT1 (0.46) PRMT1SCN10AABCB1PTGER4SERPINE1
SCHEMBL22042121 0.71 PRMT1 (0.54) PRMT1SCN10AABCB1MCHR1
SCHEMBL3397309 0.71 SLC6A4 (0.36) PRMT6SLC6A4ACHELSSPIM1

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-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed