SCHEMBL11022003

SCHEMBL11022003

O=[N+]([O-])c1ccc(NCCO)cc1.[Na]

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
ALDH1A1 P00352 8/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
GLA P06280 2/20 0.58
ABCG2 Q9UNQ0 1/20 0.57
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
HPGD P15428 3/20 0.55
ALOX12 P18054 1/20 0.55
KDM4E B2RXH2 1/20 0.54
RAB9A P51151 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL1024700 0.98 MAPT (0.61) MAPTALDH1A1SMN1; SMN2GLAABCG2
Ammonia Solution, Strong SCHEMBL27496286 0.96 ABCG2 (0.61) MAPTALDH1A1SMN1; SMN2GLAABCG2
SCHEMBL9358505 0.89 MAPT (0.54) MAPTALDH1A1SMN1; SMN2GLAABCG2
SCHEMBL9358510 0.89 MAPT (0.54) MAPTALDH1A1SMN1; SMN2GLAABCG2
SCHEMBL195897 0.88 MAPT (0.55) MAPTALDH1A1SMN1; SMN2GLAABCG2
SCHEMBL9820311 0.87 ALDH1A1 (0.65) MAPTALDH1A1SMN1; SMN2GLAKMT2A
SCHEMBL9003269 0.86 MAPT (0.70) MAPTALDH1A1SMN1; SMN2GLAKMT2A
SCHEMBL7938661 0.86 ALDH1A1 (0.63) MAPTALDH1A1SMN1; SMN2GLAKMT2A
SCHEMBL13252782 0.85 MAPT (0.50) MAPTALDH1A1SMN1; SMN2GLAABCG2
SCHEMBL4953010 0.84 ALDH1A1 (0.61) MAPTALDH1A1SMN1; SMN2GLAKMT2A

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-0153599-A2 Triphenedioxazine vinylsulfonyl dyestuffs BAYER AG (DE) 1985-09-04 EP disclosed