SCHEMBL8889229

SCHEMBL8889229

COCc1ncnc(O)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
AGXT P21549 1/20 0.33
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBB6 Q9BUF5 1/20 0.30
TUBB2B Q9BVA1 1/20 0.30
TUBB1 Q9H4B7 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL30871925 1.00 TDP1 (0.35) TDP1CYP3A4MAPTAGXTTUBB4A
SCHEMBL2231363 0.80 TDP1 (0.40) TDP1CYP3A4MAPTKDM4EKMO
SCHEMBL13064175 0.80 AGXT (0.33) AGXT
SCHEMBL7199405 0.78 ALDH1A1 (0.39) MAPTAGXT
SCHEMBL27960540 0.78 TDP1 (0.39) TDP1CYP3A4MAPTKDM4EKMO
SCHEMBL29415107 0.78 TDP1 (0.39) TDP1CYP3A4MAPTKDM4EKMO
SCHEMBL27880131 0.78 TDP1 (0.39) TDP1CYP3A4MAPTKDM4EKMO
SCHEMBL1660315 0.78 AGXT (0.33) TDP1CYP3A4MAPTAGXTKDM4E
SCHEMBL13019609 0.76 AGXT (0.30) AGXT
SCHEMBL12348218 0.72 TDP1 (0.34) TDP1CYP3A4MAPTKMO

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
US-5668140-A INSECTICIDE, ACARICIDE, NEMATOCIDE, FUNGICIDE HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-16 US disclosed
EP-0519211-A1 Substituted 4-aminopyrimidine, process for their preparation and their use as parasiticide Hoechst Schering AgrEvo GmbH (DE) 1992-12-23 EP disclosed