SCHEMBL10599397

SCHEMBL10599397

CSc1nnc(C)c(=O)n1N

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 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
SCHEMBL11606834 0.79 ALDH1A1 (0.60) POLBALDH1A1KDM4EMAPTHTT
SCHEMBL11703768 0.75 POLB (0.46) POLBALDH1A1KDM4EMAPTHTT
Metribuzin SCHEMBL8535922 0.75 HPGD (0.51) POLBALDH1A1KDM4EMAPTHTT
Metribuzin SCHEMBL66824 0.75 HPGD (0.51) POLBALDH1A1KDM4EMAPTHTT
SCHEMBL11713346 0.74 POLB (0.63) POLBALDH1A1KDM4EMAPTHTT
SCHEMBL7029971 0.71 ALDH1A1 (0.55) POLBALDH1A1KDM4EMAPTHTT
SCHEMBL11716000 0.71 POLB (0.42) POLBALDH1A1KDM4EMAPTHTT
SCHEMBL11124622 0.71 ALDH1A1 (0.36) POLBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9802279 0.71 POLB (0.39) POLBALDH1A1KDM4EMAPTHTT
SCHEMBL3947756 0.70 ALDH1A1 (1.00) POLBALDH1A1KDM4EMAPTHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168766-B1 PROCESS FOR THE PREPARATION OF S-SUBSTITUTED ISOTHIO UREAS MOBAY CORPORATION (US) 1989-08-16 EP disclosed
US-4783531-A Production of S-substituted isothioureas MOBAY CORPORATION (US) 1988-11-08 US disclosed
US-4659819-A Production of S-substituted isothioureas MOBAY CORPORATION (US) 1987-04-21 US disclosed
EP-0168766-A2 Process for the preparation of S-substituted isothio ureas MOBAY CORPORATION (US) 1986-01-22 EP disclosed
US-4402733-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1983-09-06 US disclosed
US-4036632-A CONTROLLING WEEDS USING 3-METHYLTHIO-4-AMINO-6-BUTYL-1,2,4 TRIAZINE-5-ONE BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-3966715-A 1,2,4-TRIAZINE-5-ONES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed
US-3961936-A SUBSTITUTED 1,2,4-TRIAZINE-5-ONES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-08 US disclosed