SCHEMBL27936738

SCHEMBL27936738

O=C(N1CCN(c2ccccc2O)CC1)N1CCN(c2ccccc2O)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
GAA P10253 7/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ALDH1A1 P00352 2/20 0.57
HTT P42858 2/20 0.57
ALOX12 P18054 1/20 0.57
AKR1C3 P42330 4/20 0.57
RAB9A P51151 1/20 0.56
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.52
ALOX15 P16050 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
Hydrochloric Acid SCHEMBL27918158 0.98 KMT2A (0.64) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL5470285 0.92 GAA (0.60) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL1491206 0.87 KMT2A (0.64) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL4019882 0.85 GAA (0.70) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL11120307 0.85 GAA (0.70) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL3801245 0.85 GAA (0.65) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL19049601 0.85 KMT2A (0.62) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL13769814 0.81 GAA (0.68) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL18997520 0.81 GAA (0.60) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL27936739 0.81 GAA (0.56) KMT2AMEN1GAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110337293-A Therapeutic compound 新泽西鲁特格斯州立大学 2019-10-15 CN claimed
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN claimed
CN-110337293-A Therapeutic compound 新泽西鲁特格斯州立大学 2019-10-15 CN disclosed
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN disclosed