SCHEMBL9837446

SCHEMBL9837446

CCN(C(=S)NN)c1cnc2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ GAA P10253 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL2515395 0.81 ATG4B (0.42) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL2515397 0.73 KDM4E (0.47) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL28585105 0.72 PDE10A (0.47) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL7029896 0.71 PDE10A (0.38) KDM4EALDH1A1GAAPOLBRAB9A
Hydrochloric Acid SCHEMBL28608866 0.71 PDE10A (0.46) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL5435508 0.67 RAB9A (0.49) KDM4EALDH1A1GAARAB9AHSD17B10
SCHEMBL14582925 0.66 PDE10A (0.44) KDM4EALDH1A1GAARAB9ALMNA
SCHEMBL7048629 0.66 NCF1 (0.55) KDM4EALDH1A1GAARAB9AHSD17B10
Hydrochloric Acid SCHEMBL28590788 0.65 NCF1 (0.53) KDM4EALDH1A1GAARAB9AHSD17B10
SCHEMBL28679814 0.64 KDM4E (0.45) KDM4EALDH1A1GAAPOLBRAB9A

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
JP-3145490-A — — None — — JP disclosed
JP-H03145490-A (2IMIDAZOLIN2-YLAMINO) TETRAHYDROQUINOXALINE ALLERGAN INC 1991-06-20 — — JP disclosed
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