SCHEMBL2635932

SCHEMBL2635932

O=C(O)CCC/N=C/c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.58
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TBXA2R P21731 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2635935 1.00 TBXAS1 (0.58) TBXAS1ALDH1A1KMT2AMEN1TBXA2R
SCHEMBL12186568 0.94 TBXAS1 (0.59) TBXAS1
SCHEMBL2635980 0.94 TBXAS1 (0.59) TBXAS1
SCHEMBL2635981 0.94 TBXAS1 (0.59) TBXAS1
SCHEMBL2908449 0.82 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2908451 0.82 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4253299 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4253302 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4253702 0.79 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4253696 0.79 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2

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
WO-2011140599-A1 CHEMICAL COMPOUND ARRAYS USEFUL FOR DETECTING BACTERIAL PEPTIDES MONASH UNIVERSITY (AU) 2011-11-17 WO claimed
WO-2011140599-A1 CHEMICAL COMPOUND ARRAYS USEFUL FOR DETECTING BACTERIAL PEPTIDES MONASH UNIVERSITY (AU) 2011-11-17 WO disclosed