SCHEMBL7947591

SCHEMBL7947591

CCN(CC)CCOc1cc(NC(=S)NC(C)c2ccccc2Br)ccc1NC(=O)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MCHR1 Q99705 4/20 0.42
KDR P35968 1/20 0.40
MEN1 O00255 4/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL6811269 0.90 LMNA (0.44) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6811238 0.88 LMNA (0.46) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL7785810 0.81 MAPT (0.44) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL7782560 0.79 KMT2A (0.49) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6819407 0.78 MEN1 (0.56) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6810888 0.78 LMNA (0.51) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6811176 0.78 LMNA (0.54) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6810882 0.75 LMNA (0.49) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6816443 0.74 LMNA (0.52) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6814765 0.74 LMNA (0.42) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E

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