SCHEMBL16844168

SCHEMBL16844168

Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN(C)C)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.73
▸ MAPT P10636 2/20 0.73
▸ KDM4E B2RXH2 2/20 0.73
▸ LMNA P02545 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ USP2 O75604 3/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ TSHR P16473 1/20 0.71
▸ CA2 P00918 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ MEN1 O00255 3/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ GAA P10253 1/20 0.63
▸ ALOX15 P16050 1/20 0.61
▸ HTT P42858 1/20 0.61

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
SCHEMBL2723919 0.91 TP53 (0.73) KMT2AMAPTKDM4ELMNATP53
SCHEMBL2723282 0.85 MAPT (1.00) KMT2AMAPTKDM4ELMNATP53
SCHEMBL10289179 0.84 KMT2A (0.74) KMT2AMAPTKDM4ELMNATP53
SCHEMBL2722837 0.84 MAPT (0.79) KMT2AMAPTKDM4ELMNAUSP2
SCHEMBL10289177 0.83 MAPT (0.62) KMT2AMAPTKDM4ELMNAALDH1A1
SCHEMBL10289083 0.82 MAPT (0.68) KMT2AMAPTKDM4ELMNAALDH1A1
SCHEMBL3868831 0.80 GAA (0.91) MAPTKDM4ELMNATP53ALDH1A1
SCHEMBL25482008 0.80 L3MBTL1 (0.78) KMT2AMAPTLMNAUSP2ALDH1A1
SCHEMBL25482005 0.80 TDP1 (0.70) KMT2AMAPTLMNATP53USP2
SCHEMBL25482034 0.79 ALDH1A1 (0.82) KMT2AMAPTLMNAUSP2ALDH1A1

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
EP-2886120-A1 Quinazoline derivatives, compositions and uses related thereto Emory University (US) 2015-06-24 — — EP disclosed
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