SCHEMBL5493754

SCHEMBL5493754

CCOC(=O)c1c([N+](=O)[O-])ccc(C=C[As](C)C)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 9/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
XBP1 P17861 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AR P10275 2/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
CRHBP P24387 1/20 0.37
RAB9A P51151 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
SCHEMBL5493751 1.00 MAPT (0.42) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL30083330 0.83 MAPT (0.42) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL396236 0.83 MAPT (0.42) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL396237 0.83 MAPT (0.42) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL21907038 0.81 ALDH1A1 (0.40) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL395183 0.78 MAPT (0.49) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL14403722 0.72 ALDH1A1 (0.41) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL9317168 0.70 NSD2 (0.43) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL22391943 0.69 ALDH1A1 (0.47) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL297058 0.68 ALDH1A1 (0.51) MAPTALDH1A1LMNAHPGDKMT2A

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-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed