SCHEMBL11687601

SCHEMBL11687601

CN(CCC=O)C(=O)Nc1nnc(C(C)(C)C)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ PAX8 Q06710 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPT P10636 2/20 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
SCHEMBL11634995 0.88 POLB (0.51) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL11626582 0.86 SMN1; SMN2 (0.55) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL11835158 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL11836968 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL11689676 0.82 TP53 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL11690673 0.79 CA1 (0.43) SMN1; SMN2MEN1KMT2APOLBCA1
SCHEMBL11489705 0.78 SMN1; SMN2 (0.61) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL11669564 0.77 ALDH1A1 (0.51) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL11703246 0.77 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1CYP2C9
SCHEMBL11708080 0.77 MEN1 (0.53) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1

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
US-4056383-A Thiaoiazolyltetrahydropyrimidinone herbicides VELSICOL CHEMICAL CORPORATION (US) 1977-11-01 — — US disclosed
US-4053298-A HERBICIDAL COMPOSITIONS CONTAINING 1-THIADIAZOLYL-6-CARBAMOYLOXYTETRAHYDROPYRIMIDINONES AND METHODS THEREFOR VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 — — US disclosed
US-4040812-A Herbicidal carbonates and thiocarbonates of thiadiazolyl-2(1H)-pyrimidinones VELSICOL CHEMICAL CORPORATION (US) 1977-08-09 — — US disclosed
US-4006009-A 1-Thiadiazolyl-6-acyloxytetrahydropyrimidinone herbicides VELSICOL CHEMICAL CORPORATION (US) 1977-02-01 — — US disclosed
US-3988143-A 1-Thiadiazolyl-6-alkoxytetrahydropyrimidinones VELSICOL CHEMICAL CORPORATION (US) 1976-10-26 — — US disclosed
US-3979388-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-09-07 — — US disclosed
US-3951976-A 1-Thiadiazoly-6-carbamoyloxytetrahydropyrimidinones VELSICOL CHEMICAL CORPORATION (US) 1976-04-20 — — US disclosed
US-3932410-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-01-13 — — US disclosed
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