SCHEMBL6987044

SCHEMBL6987044

N#CN(Cc1cccnc1)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 3/20 0.48
RECQL P46063 1/20 0.47
GRM2 Q14416 4/20 0.47
NAPRT Q6XQN6 1/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PLOD2 O00469 1/20 0.44
VNN1 O95497 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL14855303 0.79 GAA (0.64) GAATSHRKMT2AGRM2NAPRT
SCHEMBL27781493 0.78 LMNA (0.63) GAATSHRKMT2AGRM2LMNA
SCHEMBL1399532 0.78 GAA (0.56) GAATSHRKMT2AGRM2NAPRT
SCHEMBL6987105 0.78 GAA (0.56) GAATSHRKMT2AGRM2NAPRT
SCHEMBL6986062 0.74 GAA (0.51) GAATSHRKMT2AGRM2NAPRT
SCHEMBL24069261 0.73 GAA (0.50) GAATSHRKMT2AGRM2FNTA
SCHEMBL9104852 0.72 GAA (0.71) GAATSHRKMT2ANAPRTLMNA
SCHEMBL13571398 0.71 TSHR (0.84) GAATSHRKMT2AGRM2LMNA
SCHEMBL16179158 0.71 ALDH1A1 (0.57) TSHRKMT2ALMNATDP1ALDH1A1
SCHEMBL16923895 0.71 TRPM8 (0.60) GAATSHRKMT2AGRM2NAPRT

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