SCHEMBL6987138

SCHEMBL6987138

O=C(NCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
HDAC1 Q13547 1/20 0.51
CYP19A1 P11511 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
LSS P48449 1/20 0.48

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
SCHEMBL6987133 0.86 POLB (0.55)
SCHEMBL31188605 0.82 TAAR1 (0.55) HRH3
SCHEMBL6981160 0.77 PTGES (0.49)
SCHEMBL5959133 0.77 HIF1A (0.54)
SCHEMBL21857890 0.75 CYP3A4 (0.70)
SCHEMBL11628816 0.75 NAMPT (0.67) KDM1AHDAC1LSS
Hydrochloric Acid SCHEMBL11627973 0.74 SORT1 (0.65) KDM1AHDAC1LSS
SCHEMBL13724678 0.73 CES2 (0.57) LSS
SCHEMBL14082728 0.73 KMT2A (0.53) KDM1AHDAC1
SCHEMBL11625535 0.72 ALDH1A1 (0.76)

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