SCHEMBL7946708

SCHEMBL7946708

COc1cc(OC)c(SNC(=O)Nc2ccc(NC(C)=O)c(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
KDR P35968 5/20 0.44
TRPV1 Q8NER1 2/20 0.43
BRAF P15056 4/20 0.42
RAF1 P04049 3/20 0.42
HTT P42858 1/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PYGL P06737 1/20 0.41
IGF1R P08069 1/20 0.40

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
SCHEMBL7945458 0.86 MAPT (0.48) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7939052 0.84 ALDH1A1 (0.49) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7938904 0.79 SHMT2 (0.44) MAPTMEN1KMT2AHTR2CNPC1
SCHEMBL6816067 0.79 MAPT (0.61) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7950802 0.78 ALDH1A1 (0.54) MAPTMEN1KMT2ALMNAGAA
SCHEMBL6816114 0.78 MAPT (0.59) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7939128 0.76 LMNA (0.52) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7945542 0.74 ALDH1A1 (0.67) MAPTMEN1KMT2AGAANPC1
SCHEMBL7946627 0.73 KMT2A (0.59) MAPTMEN1KMT2ALMNAGAA
SCHEMBL9807561 0.73 MAP2K1 (0.54) GAAKDRTRPV1SMN1; SMN2

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