SCHEMBL7939055

SCHEMBL7939055

COc1cc(OC)c(NC(=S)Nc2ccc(NC(C)=O)cc2)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
ALDH1A1 P00352 11/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
HPGD P15428 2/20 0.67
LMNA P02545 2/20 0.67
KDM4E B2RXH2 4/20 0.61
HTT P42858 1/20 0.61
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 2/20 0.51

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
SCHEMBL6811241 0.95 ALDH1A1 (0.68) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6812047 0.92 MAPT (0.67) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6814852 0.91 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6811688 0.91 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6815470 0.91 MAPT (0.71) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6816472 0.91 MAPT (0.68) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6819571 0.90 MAPT (0.68) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6815957 0.90 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7161442 0.90 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6814872 0.90 ALDH1A1 (0.60) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed