SCHEMBL8894617

SCHEMBL8894617

CC(=O)Nc1ccc(C(=O)OC(=O)C(F)(F)F)cc1-n1cc(-c2ccc(C)cc2)nc1N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.38
TLR8 Q9NR97 3/20 0.37
MAPT P10636 5/20 0.36
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL8891105 0.92 ADORA3 (0.39) ADORA3TLR8MAPTSMN1; SMN2NPC1
SCHEMBL8901213 0.92 ALDH1A1 (0.38) ADORA3TLR8MAPTTP53RXFP1
Trifluoroacetic Acid SCHEMBL8894608 0.86 ADORA3 (0.40) ADORA3MAPTTP53SMN1; SMN2NPC1
SCHEMBL8891817 0.83 ADORA3 (0.44) ADORA3MAPTRXFP1SMN1; SMN2NPC1
SCHEMBL8902589 0.83 KMT2A (0.39) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL8892913 0.83 ADORA2A (0.41) ADORA3MAPTTP53HPGDKDM4E
Trifluoroacetic Acid SCHEMBL8901207 0.78 ALDH1A1 (0.40) ADORA3MAPTRXFP1SMN1; SMN2NPC1
SCHEMBL8901564 0.78 ALDH1A1 (0.34) HPGDALDH1A1LMNAKMT2APIK3CA
Trifluoroacetic Acid SCHEMBL8891099 0.78 ADORA3 (0.41) ADORA3MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL8900955 0.77 SCN3A (0.41) ADORA3MAPTRXFP1SMN1; SMN2NPC1

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-1997033872-A1 ANTI-VIRAL 4-ACYLAMINO-3-[IMIDAZOL-I-YL]-BENZOIC ACID DERIVATIVES BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1997-09-18 WO disclosed