SCHEMBL6896554

SCHEMBL6896554

[CH]NCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.67
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.54
HPGD P15428 1/20 0.52
POLB P06746 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
SCHEMBL6892609 0.93 SIGMAR1 (0.65) SIGMAR1MEN1KMT2AL3MBTL1
SCHEMBL6892276 0.85 ALDH1A1 (0.58) SIGMAR1L3MBTL1HPGD
SCHEMBL4254894 0.80 SIGMAR1 (1.00) SIGMAR1
SCHEMBL10395208 0.80 SIGMAR1 (0.73) SIGMAR1MEN1KMT2AL3MBTL1HPGD
SCHEMBL28145268 0.78 SIGMAR1 (0.70) SIGMAR1MEN1KMT2AL3MBTL1HPGD
SCHEMBL14612322 0.78 SIGMAR1 (0.70) SIGMAR1MEN1KMT2AL3MBTL1HPGD
SCHEMBL2538905 0.78 SIGMAR1 (0.95) SIGMAR1
SCHEMBL696112 0.76 ALDH1A1 (0.74) SIGMAR1MEN1KMT2AL3MBTL1
SCHEMBL2095206 0.76 SIGMAR1 (0.67) SIGMAR1MEN1KMT2AL3MBTL1HPGD
SCHEMBL10709659 0.76 SIGMAR1 (0.67) SIGMAR1MEN1KMT2AL3MBTL1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed