SCHEMBL15097484

SCHEMBL15097484

COSc1ccc(C(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.37
GALR3 O60755 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.35
CHEK1 O14757 1/20 0.35
DTYMK P23919 1/20 0.33
GPR35 Q9HC97 1/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
USP7 Q93009 1/20 0.32
PADI4 Q9UM07 1/20 0.32
VCAM1 P19320 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL15097485 0.79 ALDH1A1 (0.40) ALDH1A1TDP1TSHRNPSR1MEN1
SCHEMBL16019381 0.76 ALDH1A1 (0.53) ALDH1A1TDP1TSHRNPSR1MEN1
SCHEMBL15097615 0.75 PDK1 (0.48) ALDH1A1TDP1TSHRNPSR1MEN1
SCHEMBL13945797 0.73 ALDH1A1 (0.50) ALDH1A1TDP1TSHRNPSR1MEN1
SCHEMBL12737451 0.73 TSHR (0.62) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL446475 0.73 TDP1 (0.55) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL395910 0.71 ALDH1A1 (0.59) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL16955053 0.71 MEN1 (0.42) ALDH1A1TDP1TSHRNPSR1MEN1
SCHEMBL16019384 0.71 MAPK1 (0.53) ALDH1A1TDP1TSHRNPSR1L3MBTL1
SCHEMBL15356395 0.71 TDP1 (0.53) ALDH1A1TDP1TSHRMEN1KMT2A

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-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed