SCHEMBL7946384

SCHEMBL7946384

Cc1c(NC(=O)Nc2cccc(C#N)c2NS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
POLB P06746 3/20 0.50
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
IDH1 O75874 1/20 0.48
ALDH1A1 P00352 4/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL7946388 0.87 LMNA (0.58) LMNAPOLBKMT2AMAPTMEN1
SCHEMBL7552121 0.83 LMNA (0.54) LMNAPOLBKMT2AMAPTMEN1
SCHEMBL7923434 0.79 CA12 (0.48) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL7495394 0.78 MEN1 (0.51) LMNAKMT2AMAPTMEN1GAA
SCHEMBL17978582 0.78 CRHBP (0.69) LMNAPOLBMAPTGAAALDH1A1
SCHEMBL11325469 0.76 LMNA (0.83) LMNAPOLBKMT2AMAPTMEN1
SCHEMBL8682320 0.74 POLB (0.47) LMNAPOLBKMT2AMAPTMEN1
SCHEMBL8684046 0.73 CA12 (0.50) LMNAPOLBKMT2AMAPTMEN1
SCHEMBL7487873 0.73 POLB (0.50) LMNAPOLBKMT2AMAPTMEN1
SCHEMBL27180913 0.72 POLB (0.68) LMNAPOLBKMT2AMAPTMEN1

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
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed