SCHEMBL7756665

SCHEMBL7756665

CONC(C(C)=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
NOTUM Q6P988 2/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9423175 0.81
SCHEMBL7921651 0.81 NOTUM (0.31) NOTUM
SCHEMBL6697536 0.78 MEN1 (0.44) TSHRNOTUMALDH1A1GAALMNA
SCHEMBL9423041 0.77 TDP1 (0.40) NOTUMALDH1A1LMNASMN1; SMN2
SCHEMBL14571462 0.75 BRD9 (0.41) NOTUMLMNA
SCHEMBL6552716 0.75 LMNA (0.36) NOTUMALDH1A1GAALMNA
SCHEMBL8612939 0.75 NOTUM (0.32) NOTUMLMNA
SCHEMBL31442410 0.75 COMT (0.37) TSHRNOTUMALDH1A1GAASMN1; SMN2
SCHEMBL7530302 0.75 NOTUM (0.32) NOTUM
Ethylene SCHEMBL9423310 0.75 TDP1 (0.39) NOTUMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836594-B1 BENZYLHYDROXYLAMINES AND INTERMEDIATES USED TO PREPARE THEM BASF AG (DE) 2001-03-07 EP disclosed
US-6057269-A HERBICIDES AND FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
CN-1192737-A Benzylhydroxylamines and intermediates used to prepare them BASF AG (DE) 1998-09-09 CN disclosed
WO-1997002253-A1 BENZYLHYDROXYLAMINES AND INTERMEDIATES USED TO PREPARE THEM BASF AKTIENGESELLSCHAFT (DE) 1997-01-23 WO disclosed