SCHEMBL8114805

SCHEMBL8114805

CC(C(=O)O)c1nsc2ccc(N3C(=O)C4CCCCC4C3=O)cc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.45
MEN1 O00255 7/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 9/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.34

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
SCHEMBL8114713 0.89 KMT2A (0.43) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8114250 0.78 KMT2A (0.42) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8119229 0.75 ALDH1A1 (0.42) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8115973 0.74 KMT2A (0.44) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL11615277 0.73 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL6771246 0.72 KMT2A (0.43) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8105823 0.72 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL28249865 0.67 POLB (0.49) SMN1; SMN2ALDH1A1LMNARXFP1KDM4E
SCHEMBL8112915 0.66 KMT2A (0.48) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8116188 0.64 PPOX (0.43) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1

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
EP-0726268-B1 Substituted benzisoxazole and benzisothiazole herbicidal agents AMERICAN CYANAMID CO (US) 2000-11-02 EP claimed