SCHEMBL5570257

SCHEMBL5570257

CCCNC(=O)n1c(NC(=O)O)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
ALDH1A1 P00352 1/20 0.67
ASAH1 Q13510 8/20 0.55
KDM4E B2RXH2 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPSR1 Q6W5P4 3/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL6926893 0.93 TSHR (0.79) TSHRALDH1A1ASAH1KDM4EKMT2A
SCHEMBL205803 0.88 TSHR (0.87) TSHRALDH1A1ASAH1KDM4EKMT2A
SCHEMBL28314136 0.87 TSHR (0.58) TSHRALDH1A1ASAH1KDM4EKMT2A
SCHEMBL675169 0.82 TSHR (0.79) TSHRALDH1A1ASAH1KDM4EKMT2A
SCHEMBL26619060 0.82 TSHR (0.51) TSHRALDH1A1ASAH1KDM4EKMT2A
SCHEMBL203352 0.82 TSHR (0.70) TSHRALDH1A1ASAH1KDM4EKMT2A
SCHEMBL7102687 0.81 TSHR (0.83) TSHRALDH1A1ASAH1KDM4EKMT2A
SCHEMBL28386901 0.81 ASAH1 (0.54) TSHRALDH1A1ASAH1KMT2AMEN1
SCHEMBL203353 0.81 TSHR (0.69) TSHRALDH1A1ASAH1KDM4EKMT2A
SCHEMBL202739 0.81 ALDH1A1 (0.66) TSHRALDH1A1ASAH1KDM4EKMT2A

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
EP-1866377-A1 ORGANOSILOXANE COMPOSITIONS Dow Corning Corporation (US) 2007-12-19 EP disclosed
WO-2006107762-A1 ORGANOSILOXANE COMPOSITIONS DOW CORNING CORPORATION (US) 2006-10-12 WO disclosed