SCHEMBL7995797

SCHEMBL7995797

CCSc1ncccc1C(=O)NCCN(C)C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 3/20 0.47
BRAF P15056 1/20 0.43
DDR1 Q08345 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53BP1 Q12888 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
TLR7 Q9NYK1 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
LMNA P02545 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL7999879 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBBRAFKDM4E
SCHEMBL7992766 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBBRAFKDM4E
SCHEMBL7999667 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBBRAFKDM4E
SCHEMBL15933244 0.72 ALDH1A1 (0.56) ALDH1A1POLBHDAC3HDAC1HDAC2
SCHEMBL18193861 0.71 EGLN1 (0.57) SMN1; SMN2TRPV1
SCHEMBL13753936 0.71 HPGD (0.51) ALDH1A1LMNA
SCHEMBL7992778 0.71 KMT2A (0.57) ALDH1A1POLBTP53BP1LMNAMRGPRX4
SCHEMBL16611866 0.71 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9APOLBKDM4E
SCHEMBL2750990 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9APOLBTP53BP1
SCHEMBL2859647 0.70 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2POLBKDM4ETP53BP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001046152-A1 HERBICIDAL DIACYL DERIVATIVES OF PROPYLENE DIAMINE MONSANTO TECHNOLOGY LLC (US) 2001-06-28 WO disclosed