SCHEMBL16826397

SCHEMBL16826397

CC(Oc1ccc(Br)cc1)C(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.66
▸ KMT2A Q03164 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ ALOX15 P16050 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CRHBP P24387 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ LDHA P00338 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL16826429 0.85 ALOX15 (0.54) ALDH1A1KMT2AMEN1GAAALOX15
SCHEMBL16825743 0.84 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1GAAALOX15
SCHEMBL16825812 0.84 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1GAAALOX15
SCHEMBL16825740 0.84 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1GAAALOX15
SCHEMBL18129178 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1GAAALOX15
SCHEMBL16825643 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1GAAALOX15
SCHEMBL16825755 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1GAAALOX15
SCHEMBL16846219 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1GAAALOX15
SCHEMBL16825861 0.82 TSHR (0.54) ALDH1A1KMT2AMEN1GAAHSD17B10
SCHEMBL16826362 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1GAAALOX15

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-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO disclosed
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