SCHEMBL4701541

SCHEMBL4701541

CCOCCN1CCN(c2cccc(-n3cnc4cc(C(=O)OCC(C)C)ccc43)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
FGFR1 P11362 1/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 15/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4702087 0.92 FGFR1 (0.48) KMT2AFGFR1NPC1MEN1HPGD
SCHEMBL2653245 0.89 KMT2A (0.51) KMT2AFGFR1NPC1MEN1HPGD
SCHEMBL2654163 0.88 KMT2A (0.47) KMT2AFGFR1NPC1MEN1HPGD
SCHEMBL2653620 0.88 KMT2A (0.49) KMT2AFGFR1NPC1MEN1HPGD
SCHEMBL2652333 0.87 FGFR1 (0.54) KMT2AFGFR1NPC1MEN1HPGD
SCHEMBL2652876 0.87 KMT2A (0.49) KMT2AFGFR1NPC1MEN1HPGD
SCHEMBL2653616 0.86 KMT2A (0.50) KMT2AFGFR1NPC1MEN1HPGD
SCHEMBL2648585 0.84 HPGD (0.49) KMT2AFGFR1NPC1HPGDSMN1; SMN2
SCHEMBL4704314 0.83 FGFR1 (0.51) KMT2AFGFR1NPC1MEN1HPGD
Hydrochloric Acid SCHEMBL7245719 0.83 SIRT2 (0.49) KMT2AFGFR1NPC1HPGDSMN1; SMN2

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-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP claimed