SCHEMBL8008741

SCHEMBL8008741

Nc1c(C(=O)NO)nnn1Cc1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TP53 P04637 3/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.48
TRPA1 O75762 1/20 0.48
CYP1A2 P05177 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PLA2G1B P04054 1/20 0.46
GAA P10253 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL9475577 0.85 HPGD (0.52) MAPTALDH1A1HTTNPSR1TP53
SCHEMBL7993110 0.79 POLB (0.69) MAPTHTTTP53MEN1KMT2A
SCHEMBL9857450 0.75 GRM2 (0.45) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL8002453 0.74 SMN1; SMN2 (0.62) MAPTALDH1A1HTTNPSR1TP53
SCHEMBL11120964 0.73 NPC1 (0.60) MAPTALDH1A1HTTNPSR1TP53
SCHEMBL4759824 0.73 GRM2 (0.43) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL10668856 0.72 TP53 (0.52) ALDH1A1TP53SMN1; SMN2CYP1A2GAA
SCHEMBL15937242 0.72 HTT (0.49) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL10669535 0.72 HPGD (0.52) MAPTALDH1A1HTTNPSR1TP53
SCHEMBL10662829 0.72 TP53 (0.59) ALDH1A1NPSR1TP53SMN1; SMN2CYP1A2

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-2000015231-A9 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RES INC (US) 2000-08-17 WO disclosed