SCHEMBL6814933

SCHEMBL6814933

CCN(CC)CC(=O)Nc1ccc(N(S)C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 6/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRK1 P41145 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
HRH3 Q9Y5N1 1/20 0.39
CA4 P22748 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6818985 0.92 POLB (0.46) SMN1; SMN2POLBALDH1A1TDP1KDM4E
SCHEMBL6815906 0.89 ALDH1A1 (0.44) SMN1; SMN2POLBALDH1A1KDM4EMAPT
SCHEMBL6819495 0.86 CA1 (0.45) SMN1; SMN2ALDH1A1TDP1KDM4EMAPT
SCHEMBL7161462 0.83 KMT2A (0.40) SMN1; SMN2POLBALDH1A1TDP1MAPT
SCHEMBL6815974 0.82 ALDH1A1 (0.44) SMN1; SMN2POLBALDH1A1GAAKDM4E
SCHEMBL6814849 0.82 CYP1A2 (0.43) SMN1; SMN2ALDH1A1TDP1MAPTHPGD
SCHEMBL6815618 0.81 CA1 (0.37) SMN1; SMN2POLBMEN1KMT2ACA1
SCHEMBL6819435 0.81 ALDH1A1 (0.55) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL6814926 0.80 POLB (0.63) SMN1; SMN2POLBALDH1A1GAATDP1
SCHEMBL6819694 0.80 ALDH1A1 (0.56) POLBALDH1A1GAAKDM4EMAPT

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-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed