SCHEMBL10036271

SCHEMBL10036271

Cc1cc(N)ccc1N1CCC(O)C(O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
ALDH1A1 P00352 5/20 0.55
GAA P10253 3/20 0.55
MEN1 O00255 3/20 0.55
THRB P10828 3/20 0.55
KMT2A Q03164 3/20 0.55
NR4A1 P22736 1/20 0.55
PTK2B Q14289 1/20 0.55
RAD52 P43351 3/20 0.49
GFER P55789 3/20 0.49
PBRM1 Q86U86 2/20 0.45
HTT P42858 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 1/20 0.44
PDE10A Q9Y233 1/20 0.37
ACACB O00763 4/20 0.36
POLB P06746 1/20 0.35
YWHAG P61981 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6707073 0.89 ALDH1A1 (0.59) MAPTALDH1A1GAAMEN1THRB
SCHEMBL10036398 0.89 ALDH1A1 (0.59) MAPTALDH1A1GAAMEN1THRB
SCHEMBL3251853 0.86 MAPT (0.57) MAPTALDH1A1GAAMEN1THRB
Hydrochloric Acid SCHEMBL5401575 0.85 MAPT (0.59) MAPTALDH1A1GAAMEN1THRB
Hydrochloric Acid SCHEMBL27584959 0.85 MAPT (0.59) MAPTALDH1A1GAAMEN1THRB
SCHEMBL188448 0.83 MAPT (0.65) MAPTALDH1A1GAAMEN1THRB
SCHEMBL10036363 0.82 MAPT (0.46) MAPTALDH1A1GAAMEN1THRB
SCHEMBL5386929 0.81 MAPT (0.58) MAPTALDH1A1GAAMEN1THRB
SCHEMBL10126801 0.81 ALDH1A1 (0.58) MAPTALDH1A1GAAMEN1THRB
SCHEMBL6712251 0.80 ALDH1A1 (0.53) MAPTALDH1A1GAAMEN1THRB

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
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO disclosed