SCHEMBL6986062

SCHEMBL6986062

O=C(c1ccccc1)N(Cc1cccnc1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
GRM2 Q14416 2/20 0.46
HTT P42858 1/20 0.46
VNN1 O95497 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
LMNA P02545 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KEAP1 Q14145 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PDK1 Q15118 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL1399532 0.77 GAA (0.56) GAATSHRALDH1A1KMT2AGRM2
SCHEMBL6987105 0.77 GAA (0.56) GAATSHRALDH1A1KMT2AGRM2
SCHEMBL27781493 0.77 LMNA (0.63) GAATSHRKMT2AGRM2LMNA
SCHEMBL7992838 0.75 RECQL (0.43) GAAALDH1A1HTTNAPRTLMNA
SCHEMBL6987044 0.74 GAA (0.52) GAATSHRALDH1A1KMT2AGRM2
SCHEMBL2029473 0.72 CRHBP (0.51) TSHRALDH1A1LMNACRHBPCRHR2
SCHEMBL24069261 0.72 GAA (0.50) GAATSHRALDH1A1KMT2AGRM2
SCHEMBL3897903 0.71 ALDH1A1 (0.44) GAAALDH1A1KMT2ALMNACRHBP
SCHEMBL9104852 0.71 GAA (0.71) GAATSHRALDH1A1KMT2AHTT
SCHEMBL7866104 0.70 PKM (0.60) GAATSHRALDH1A1KMT2ANAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO disclosed