SCHEMBL31481384

SCHEMBL31481384

Cc1c(NN)cccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.50
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ SIRT2 Q8IXJ6 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ CLCN2 P51788 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ TRPA1 O75762 1/20 0.41

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
SCHEMBL13450268 0.85 KDM4E (0.50) KDM4ENPC1RAB9AHSD17B10CASP3
SCHEMBL15387043 0.83 KDM4E (0.49) KDM4ENPC1RAB9AHSD17B10CASP3
SCHEMBL16305428 0.81 SIRT2 (0.55) KDM4ENPC1RAB9AHSD17B10CASP3
SCHEMBL175535 0.81 KDM4E (0.56) KDM4ENPC1RAB9AHSD17B10SIRT2
SCHEMBL39964 0.81 KDM4E (0.52) KDM4EHSD17B10PARP1ALDH1A1TDP1
Hydrochloric Acid SCHEMBL28498072 0.80 FFAR4 (0.55) KDM4ENPC1HSD17B10SMN1; SMN2POLB
SCHEMBL29623796 0.80 KDM4E (0.47) KDM4ENPC1RAB9AHSD17B10CASP3
Hydrochloric Acid SCHEMBL4562961 0.79 PARP1 (0.50) KDM4EHSD17B10PARP1ALDH1A1TDP1
SCHEMBL530858 0.79 KEAP1 (0.59) KDM4EHSD17B10SMN1; SMN2ALDH1A1LMNA
SCHEMBL29623849 0.78 BTK (0.57) KDM4ENPC1RAB9AHSD17B10CASP3

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-2025034537-A1 FLUOROALKOXYALKYLENE-DIHYDROIMIDAZO[5,1-D]TETRAZINONE COMPOUNDS AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS MODIFI BIOSCIENCES, INC. (US) 2025-02-13 — — WO disclosed
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