SCHEMBL7656912

SCHEMBL7656912

CCOc1ccc(CCNC(=O)N(S)c2ccc(C(N)=O)cc2)cc1OCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL6815481 0.88 GAA (0.55) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL7589803 0.82 CA1 (0.47) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL7569739 0.82 ESRRG (0.44) SMN1; SMN2ALDH1A1
SCHEMBL6814663 0.79 RAB9A (0.47) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7645916 0.79 SMN1; SMN2 (0.52) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7568746 0.79 DPP4 (0.42) GAALMNAALDH1A1MAPTHPGD
SCHEMBL6816088 0.79 TRPV1 (0.46) KMT2AMEN1GAALMNASMN1; SMN2
SCHEMBL6815179 0.78 ESRRG (0.47) ALDH1A1
SCHEMBL7686271 0.78 HDAC3 (0.50) KMT2AMEN1GAALMNAALDH1A1
SCHEMBL7570611 0.77 ESRRG (0.35) LMNASMN1; SMN2ALDH1A1MAPTHPGD

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-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed