SCHEMBL2449231

SCHEMBL2449231

O=C(Nc1cccc(Cl)c1)C1CCCNC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.56
ULK1 O75385 1/20 0.55
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
GRM5 P41594 1/20 0.51
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
EPHX1 P07099 1/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
MGLL Q99685 1/20 0.50

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
SCHEMBL19408118 0.86 MEN1 (0.69) F10ULK1KMT2AMEN1LMNA
SCHEMBL1446580 0.85 MGLL (0.58) KMT2AMEN1ALPLALPIALPG
SCHEMBL2452221 0.84 F10 (0.56) F10ULK1KMT2AMEN1NPC1
SCHEMBL259381 0.84 NPSR1 (0.72) F10ULK1LMNANPC1TSHR
SCHEMBL2451482 0.83 ULK1 (0.56) ULK1NPC1RAB9AHTT
SCHEMBL1318166 0.83 HPGD (0.66) F10ULK1KMT2AMEN1LMNA
SCHEMBL2246607 0.83 MEN1 (0.69) KMT2AMEN1LMNANPC1EPHX1
SCHEMBL2446479 0.83 HPGD (0.66) F10ULK1KMT2AMEN1LMNA
SCHEMBL1318173 0.83 HPGD (0.66) F10ULK1KMT2AMEN1LMNA
SCHEMBL31442189 0.82 RXFP1 (0.58) F10ULK1ALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed