SCHEMBL21369562

SCHEMBL21369562

C=C(/C=N/Nc1ccccn1)SCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.47
▸ NPC1 O15118 10/20 0.47
▸ GAA P10253 10/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ MEN1 O00255 7/20 0.47
▸ KMT2A Q03164 7/20 0.47
▸ MAPT P10636 7/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42

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
SCHEMBL18627145 0.80 RAB9A (0.45) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL1144420 0.73 RAB9A (0.49) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL1144419 0.73 RAB9A (0.49) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL25234452 0.72 RAB9A (0.56) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL18528347 0.71 RAB9A (0.51) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL17234471 0.71 RAB9A (0.51) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL25830149 0.70 RAB9A (0.56) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL16418407 0.70 RAB9A (0.56) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL12726207 0.70 RAB9A (0.56) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL7831620 0.69 RAB9A (0.51) RAB9ANPC1GAASMN1; SMN2MEN1

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
EP-3539543-A1 PYRIDYL HYDRAZONES FOR THE TREATMENT OF TUBERCULOSIS AND RELATED DISEASES TECNIMEDE SOCIEDADE TECNICO-MEDICINAL S.A. (PT) 2019-09-18 — — EP disclosed
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