SCHEMBL6981160

SCHEMBL6981160

O=C(NCc1cnc[nH]1)c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CD38 P28907 1/20 0.46
TLK2 Q86UE8 1/20 0.44
CHRM3 P20309 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL6984088 0.83 RAB9A (0.51) GAAMEN1KMT2ATAAR1CYP3A4
SCHEMBL6987138 0.77 KDM1A (0.51)
SCHEMBL31188605 0.76 TAAR1 (0.55) GAAMEN1KMT2ATAAR1CYP3A4
SCHEMBL2888751 0.76 LMNA (0.66) PTGESLMNAGAARECQL
SCHEMBL30748278 0.76 LMNA (0.66) PTGESLMNAGAARECQL
SCHEMBL6987133 0.75 POLB (0.55)
SCHEMBL24521558 0.73 MEN1 (0.54) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL27660016 0.72 HPGD (0.64) LMNAGAAMEN1KMT2A
SCHEMBL5720709 0.71 LMNA (0.64) PTGESLMNAGAAKMT2ARECQL
SCHEMBL16711780 0.71 LMNA (0.64) LMNAGAARECQL

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