SCHEMBL28706271

SCHEMBL28706271

Cc1cccc(NC(=O)c2c(Nc3ccccc3)sc3c2CCC3)c1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
LMNA P02545 1/20 0.70
TP53 P04637 5/20 0.68
BLM P54132 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
THRB P10828 2/20 0.67
NPC1 O15118 2/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
RAB9A P51151 1/20 0.59
ANO1 Q5XXA6 2/20 0.57
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL20340283 0.89 MAPT (0.96) MAPTLMNATP53BLMSMN1; SMN2
SCHEMBL12443267 0.83 MAPT (0.72) MAPTLMNATP53BLMSMN1; SMN2
SCHEMBL20339082 0.82 MAPT (0.67) MAPTLMNATP53BLMSMN1; SMN2
SCHEMBL21577925 0.80 MAPT (0.69) MAPTLMNATP53BLMSMN1; SMN2
SCHEMBL20339087 0.79 MAPT (0.68) MAPTLMNATP53BLMSMN1; SMN2
SCHEMBL16784364 0.79 MAPT (0.80) MAPTLMNATP53BLMSMN1; SMN2
SCHEMBL14748250 0.78 MAPT (0.79) MAPTLMNATP53BLMSMN1; SMN2
SCHEMBL8288770 0.78 FLT3 (0.68) MAPTLMNATP53BLMSMN1; SMN2
SCHEMBL20710947 0.77 ANO1 (0.72) MAPTTP53SMN1; SMN2THRBMEN1
SCHEMBL20354004 0.76 MAPT (0.62) MAPTLMNATP53BLMSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110114349-B Thiophene derivatives as antiviral agents 埃尼奥制药公司 2022-03-15 CN claimed
CN-110114349-B Thiophene derivatives as antiviral agents 埃尼奥制药公司 2022-03-15 CN disclosed