SCHEMBL3711539

SCHEMBL3711539

O=[N+]([O-])c1ccc(CNC2CCNCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
POLB P06746 1/20 0.45
GRIN2B Q13224 4/20 0.44
LMNA P02545 1/20 0.39
KMT2A Q03164 4/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CXCR3 P49682 1/20 0.37

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
SCHEMBL16462754 0.90 NPBWR1 (0.49) NPBWR1MCHR1POLBGRIN2BLMNA
SCHEMBL16463383 0.82 NPBWR1 (0.49) NPBWR1MCHR1POLBGRIN2BKMT2A
SCHEMBL28792753 0.80 SLC6A4 (0.43) KMT2AALDH1A1HIF1AADRA2APNMT
SCHEMBL25570743 0.79 BCHE (0.56) BCHEACHEBACE1KDM4ESMN1; SMN2
SCHEMBL28694553 0.79 NPBWR1 (0.44) NPBWR1MCHR1POLBGRIN2BLMNA
SCHEMBL5608590 0.78 BCHE (0.59) POLBGRIN2BLMNAKMT2ABCHE
SCHEMBL28128093 0.77 NPBWR1 (0.51) NPBWR1MCHR1POLBGRIN2BLMNA
SCHEMBL16464079 0.76 POLB (0.76) POLBGRIN2BLMNAKMT2ABCHE
SCHEMBL25145693 0.75 SLC6A4 (0.53) BCHEACHEBACE1CXCR3
SCHEMBL27868868 0.75 KCNJ1 (0.51) LMNAKMT2AALDH1A1MAPTKDM4E

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-2393814-A1 PYRROLOPYRIMIDINYL AXL KINASE INHIBITORS SuperGen, Inc. (US) 2011-12-14 EP disclosed
WO-2010090764-A1 PYRROLOPYRIMIDINYL AXL KINASE INHIBITORS SUPERGEN, INC. (US) 2010-08-12 WO disclosed