SCHEMBL9695083

SCHEMBL9695083

NC(=O)CCC(=O)NNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
MAPT P10636 8/20 0.51
GAA P10253 6/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.47
ALOX12 P18054 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.45
ESR1 P03372 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL9694594 0.93 ALDH1A1 (0.50) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL27183087 0.86 MAPT (0.67) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL10968481 0.83 KMT2A (0.62) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL28007431 0.81 MAPT (0.76) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL3164409 0.80 ALDH1A1 (0.59) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL9193599 0.80 ALDH1A1 (0.58) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL20984965 0.77 GAA (0.63) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL11075336 0.76 ALDH1A1 (0.60) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL7573415 0.76 ALDH1A1 (0.54) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL28030547 0.75 ALDH1A1 (0.66) ALDH1A1MAPTGAAKMT2AMEN1

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-1992003417-A2 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-05 WO claimed