SCHEMBL7656920

SCHEMBL7656920

CCOc1ccc(CCNC(=S)Nc2ccc(N)cc2)cc1OCC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 2/20 0.50
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.48
PSMD14 O00487 1/20 0.48
GAA P10253 3/20 0.47
HTT P42858 1/20 0.47
ALOX12 P18054 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HPGD P15428 1/20 0.46
CA9 Q16790 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
SCHEMBL7656906 0.86 MAPT (0.66) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6815484 0.85 MAPT (0.71) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6815187 0.80 MAPT (0.66) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL7589807 0.80 ALDH1A1 (0.56) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL7569745 0.79 ALDH1A1 (0.61) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6814667 0.77 ALDH1A1 (0.61) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL7645918 0.76 LMNA (0.86) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6816091 0.76 LMNA (0.56) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL7568750 0.76 MAPT (0.58) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL7686274 0.75 MAPT (0.69) MAPTLMNAALDH1A1KMT2AMEN1

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