SCHEMBL2651046

SCHEMBL2651046

CCCCOC(=O)CN1CCN(c2cccc(-n3cnc4cc(C(=O)OCCOC)ccc43)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.46
FGFR1 P11362 3/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2662138 0.95 FGFR1 (0.46) HPGDFGFR1KMT2AMEN1MAPK1
SCHEMBL2649255 0.93 FGFR1 (0.47) HPGDFGFR1KMT2AMEN1MAPK1
SCHEMBL2649104 0.91 FGFR1 (0.51) HPGDFGFR1KMT2AMEN1MAPK1
SCHEMBL2651565 0.89 FGFR1 (0.46) HPGDFGFR1KMT2AMEN1MAPK1
SCHEMBL2652558 0.88 FGFR1 (0.52) HPGDFGFR1KMT2AMEN1MAPK1
SCHEMBL2654922 0.88 FGFR1 (0.49) HPGDFGFR1KMT2AMEN1MAPK1
SCHEMBL2651479 0.88 FGFR1 (0.51) HPGDFGFR1KMT2AMEN1MAPK1
SCHEMBL5782463 0.88 RIPK1 (0.46) HPGDFGFR1KMT2AMEN1MAPK1
SCHEMBL2652145 0.88 FGFR1 (0.48) HPGDFGFR1KMT2AMEN1MAPK1
SCHEMBL2648113 0.87 HPGD (0.49) HPGDFGFR1KMT2AMEN1MAPK1

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-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 WO disclosed