SCHEMBL9645537

SCHEMBL9645537

CCCCCNc1cc(N)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
NQO2 P16083 4/20 0.42
PRKCI P41743 1/20 0.41
TLR8 Q9NR97 1/20 0.41
CISD1 Q9NZ45 6/20 0.40
ACHE P22303 1/20 0.40
PDE10A Q9Y233 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
IDO1 P14902 1/20 0.39
HCAR3 P49019 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL9363845 0.95 TLR8 (0.45) NAAANQO2PRKCITLR8CISD1
SCHEMBL27139926 0.88 IDO1 (0.50) NQO2PRKCICISD1ACHEPDE10A
SCHEMBL7173917 0.83 NAAA (0.56) NAAATRPV1IDO1HCAR3KDM4E
SCHEMBL2901815 0.81 PLK1 (0.46) NAAA
SCHEMBL9650900 0.81 ABL1 (0.50) NAAATRPV1IDO1HCAR3ALDH1A1
SCHEMBL27534388 0.80 IDO1 (0.47) PRKCIACHEPDE10AIDO1KDM4E
SCHEMBL29069494 0.80 TRPA1 (0.48) NAAATRPV1MEN1MAPTKMT2A
SCHEMBL45593 0.79 NAAA (0.50) NAAATLR8IDO1KDM4EMEN1
SCHEMBL5707666 0.79 CA1 (0.41) PRKCIACHEPDE10AIDO1KDM4E
SCHEMBL9645556 0.79 TLR7 (0.41) NQO2TLR8HCAR3KDM4EMEN1

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-0285109-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-4-ACYLAMINO-PHENYL ETHER CIBA-GEIGY AG (CH) 1992-09-16 EP disclosed
EP-0285109-A1 Process for the preparation of 2-amino-4-acylamino-phenyl ether CIBA-GEIGY AG (CH) 1988-10-05 EP disclosed