SCHEMBL18209784

SCHEMBL18209784

Cn1ncc(OC(N)=O)c1SCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
GAA P10253 3/20 0.45
PKM P14618 3/20 0.45
NR2E3 Q9Y5X4 1/20 0.43
AR P10275 1/20 0.43
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MCL1 Q07820 1/20 0.38
HPGD P15428 2/20 0.38
PPARG P37231 2/20 0.38
NCOA2 Q15596 2/20 0.38
NCOA1 Q15788 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8795182 0.86 MAPT (0.44) MAPTGAAPKMNR2E3AR
SCHEMBL3176170 0.77 PKM (0.50) MAPTGAAPKMARALDH1A1
SCHEMBL18209664 0.76 POLB (0.37) ARPOLB
SCHEMBL8630935 0.75 PKM (0.54) MAPTGAAPKMALDH1A1KDM4E
SCHEMBL18215173 0.75 MAPT (0.50) MAPTGAAPKMNR2E3AR
SCHEMBL18209747 0.74 GAA (0.47) MAPTGAAPKMARALDH1A1
SCHEMBL23863535 0.74 MAPT (0.52) MAPTGAAPKMNR2E3AR
Hydrochloric Acid SCHEMBL18209697 0.74 MAPT (0.49) MAPTGAAPKMNR2E3AR
SCHEMBL10719117 0.73 ALDH1A1 (0.55) MAPTGAAPKMALDH1A1KDM4E
SCHEMBL3165756 0.73 GAA (0.46) MAPTGAAPKMARALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292105-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS AstraZeneca AB (SE) 2018-03-14 EP disclosed
WO-2016177703-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2016-11-10 WO disclosed