SCHEMBL2651069

SCHEMBL2651069

CCCCOC(C=O)N1CCN(c2cccc(Nc3ccc(C(=O)OCCOC)cc3[N+](=O)[O-])c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
PTGER4 P35408 1/20 0.42
HPGD P15428 1/20 0.40
AKR1C4 P17516 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
MGLL Q99685 5/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
FBP1 P09467 1/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 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
SCHEMBL2651794 0.90 MAPT (0.41) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL5781910 0.89 MAPT (0.41) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2651064 0.85 MAPT (0.43) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2661798 0.84 MAPT (0.48) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2651871 0.84 ALDH1A1 (0.48) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2652325 0.83 MAPT (0.44) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2650623 0.82 MAPT (0.49) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2651555 0.81 MAPT (0.45) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2662508 0.81 MAPT (0.46) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2661830 0.81 MAPT (0.45) MAPTALDH1A1RAB9APTGER4HPGD

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