SCHEMBL7945596

SCHEMBL7945596

COc1ccccc1NC(=S)Nc1ccc(C(N)=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.76
L3MBTL1 Q9Y468 3/20 0.76
RAB9A P51151 2/20 0.76
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 4/20 0.57
ALDH1A1 P00352 5/20 0.56
HPGD P15428 2/20 0.56
POLB P06746 2/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.53

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
SCHEMBL11895724 0.86 RAB9A (1.00) SMN1; SMN2L3MBTL1RAB9AHDAC1HDAC6
SCHEMBL6816152 0.85 KMT2A (0.71) SMN1; SMN2RAB9AKMT2AGAAALDH1A1
SCHEMBL7945600 0.83 ALDH1A1 (0.62) SMN1; SMN2L3MBTL1RAB9AKMT2AGAA
SCHEMBL17956756 0.82 GAA (0.71) SMN1; SMN2KMT2AGAAALDH1A1HPGD
SCHEMBL25517519 0.81 HPGD (0.63) SMN1; SMN2KMT2AGAAALDH1A1HPGD
SCHEMBL31388324 0.81 HPGD (0.80) SMN1; SMN2KMT2AGAAALDH1A1HPGD
SCHEMBL3822985 0.81 HPGD (0.80) SMN1; SMN2KMT2AGAAALDH1A1HPGD
SCHEMBL6815571 0.80 MAPT (0.66) SMN1; SMN2L3MBTL1RAB9AKMT2AGAA
SCHEMBL7692027 0.80 ALDH1A1 (0.69) SMN1; SMN2L3MBTL1RAB9AHDAC1KMT2A
Hydrochloric Acid SCHEMBL3716559 0.80 CA1 (0.69) SMN1; SMN2L3MBTL1RAB9AKMT2AGAA

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