SCHEMBL9802279

SCHEMBL9802279

CCC(CC)c1nnc(SC)n(N)c1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 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
SCHEMBL11703768 0.81 POLB (0.46) POLBALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9802350 0.79 ALDH1A1 (0.43) POLBALDH1A1KDM4EMAPTNPC1
SCHEMBL9802500 0.76
SCHEMBL9802010 0.73
SCHEMBL9802450 0.73 ALDH1A1 (0.39) POLBALDH1A1KDM4EMAPT
SCHEMBL10599397 0.71 POLB (0.65) POLBALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL11716596 0.70 POLB (0.42) POLBALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL11716000 0.70 POLB (0.42) POLBALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9802250 0.70 ALDH1A1 (0.36) POLBALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL11718518 0.68 POLB (0.41) POLBALDH1A1SMN1; SMN2KDM4EMAPT

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-5076833-A HERBICIDAL AND PLANT GROWTH-REGULATING 6-(PENT-3-YL)-1,2,4-TRIAZIN-5(4H)-ONES BAYER AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed
EP-0399310-A1 6-(Pent-3-yl)-1,2,4-triazin-5-(4H)-ones, process for their preparation and their use as herbicides and plant growth regulators BAYER AG (DE) 1990-11-28 EP disclosed