SCHEMBL18611642

SCHEMBL18611642

CC(C)(C)OC(=O)NCCNC(=O)c1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
EGFR P00533 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL13248194 0.83 HPGD (0.41) HPGDBCHEHDAC3HDAC4HDAC1
SCHEMBL16077518 0.81 HPGD (0.54) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL13248190 0.78 HPGD (0.56) HPGDTDP1HDAC3HDAC4HDAC1
SCHEMBL14688254 0.78 HPGD (0.46) HPGDALDH1A1LMNA
SCHEMBL13740181 0.76 TDP1 (0.47) NPSR1ALDH1A1GFERTDP1HDAC3
SCHEMBL14687749 0.76 HPGD (0.51) HPGDNPSR1ALDH1A1TDP1HDAC3
SCHEMBL19442573 0.75 BCHE (0.45) NPSR1BCHEHDAC1LMNA
SCHEMBL13248184 0.75 HPGD (0.50) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1555895 0.75 DYRK1A (0.43) HPGDALDH1A1
SCHEMBL17540251 0.71 RET (0.44) NPSR1ALDH1A1TDP1BCHEHDAC3

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-2017040349-A1 PROTEIN PROXIMITY ASSAY IN FORMALIN FIXED PAFFAFIN EMBEDDED TISSUE USING CAGED HAPTENS VENTANA MEDICAL SYSTEMS, INC. (US) 2017-03-09 WO disclosed