SCHEMBL30219010

SCHEMBL30219010

O=C(Nc1ccc(F)cc1)C1=C(O)CN(c2ccc(C(F)(F)F)nc2)NC1=S

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP30 Q70CQ3 2/20 0.37
HDAC11 Q96DB2 2/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NR3C1 P04150 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL26073868 1.00 DGAT2 (0.38) DGAT2NPC1ALDH1A1GAARAB9A
SCHEMBL31148861 0.89 DGAT2 (0.39) DGAT2NPC1ALDH1A1GAARAB9A
SCHEMBL24150182 0.89 DGAT2 (0.39) DGAT2NPC1ALDH1A1GAARAB9A
SCHEMBL25246114 0.84 KCNQ3 (0.42) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL31162534 0.83 JAK2 (0.34) DGAT2ALDH1A1GAAUSP30TRPV1
SCHEMBL26225429 0.83 JAK2 (0.34) DGAT2ALDH1A1GAAUSP30TRPV1
SCHEMBL31148856 0.82 NR3C1 (0.40) SMN1; SMN2NR3C1
SCHEMBL25253501 0.82 NR3C1 (0.40) SMN1; SMN2NR3C1
SCHEMBL25296799 0.81 DGAT2 (0.38) DGAT2NPC1ALDH1A1GAARAB9A
SCHEMBL30468916 0.81 DGAT2 (0.38) DGAT2NPC1ALDH1A1GAARAB9A

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
CN-115734965-A Aryltetrahydropyridazine derivatives or salts thereof, pesticides containing the same and methods of use thereof 日本农药株式会社 2023-03-03 CN disclosed