SCHEMBL10995442

SCHEMBL10995442

CCCCc1ccc(NC(=O)CN2CCN(CC(O)C3COc4cc(SC)ccc4O3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
MEN1 O00255 6/20 0.44
ALDH1A1 P00352 7/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 4/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7430532 0.89 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10997102 0.88 MEN1 (0.52) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL11000010 0.83 POLB (0.52) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10989717 0.83 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10995435 0.82 UGCG (0.32)
SCHEMBL10994841 0.81 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10995111 0.81 LMNA (0.50) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10994260 0.79 POLB (0.50) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10993684 0.78 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL10991656 0.78 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1

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
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed