SCHEMBL11723964

SCHEMBL11723964

CCC(Cl)c1nnc(N)s1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
BRD4 O60885 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL11424892 0.77 KMT2A (0.47) KMT2AALDH1A1CYP2C9CYP2C19GAA
SCHEMBL11551312 0.76
SCHEMBL10419749 0.75
SCHEMBL11251896 0.72 KMT2A (0.40) KMT2AALDH1A1CYP2C9CYP2C19GAA
SCHEMBL20631170 0.71 KMT2A (0.42) KMT2AALDH1A1CYP2C9CYP2C19GAA
SCHEMBL293613 0.70
SCHEMBL3909195 0.69 ALDH1A1 (0.43) KMT2AALDH1A1CYP2C9CYP2C19GAA
SCHEMBL11707048 0.69 CA2 (0.39)
SCHEMBL24073941 0.69
Hydrochloric Acid SCHEMBL2968732 0.69 KMT2A (0.52) KMT2AALDH1A1CYP2C9CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053298-A HERBICIDAL COMPOSITIONS CONTAINING 1-THIADIAZOLYL-6-CARBAMOYLOXYTETRAHYDROPYRIMIDINONES AND METHODS THEREFOR VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed
US-4023957-A Herbicidal 1-thiadiazolyl-5-carbamoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1977-05-17 US disclosed
US-3933839-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-01-20 US disclosed