SCHEMBL27832247

SCHEMBL27832247

CO/N=C(/C(=O)N(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 2/20 0.40
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
TYMP P19971 1/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL8537307 1.00 TSHR (0.42) TSHRALDH1A1KMT2APKMGAA
SCHEMBL27795570 0.82 GAA (0.38) TSHRKMT2AGAACYP2C19TYMP
SCHEMBL3958996 0.81 TSHR (0.48) TSHRALDH1A1KMT2APKMGAA
SCHEMBL8007984 0.81 TSHR (0.48) TSHRALDH1A1KMT2APKMGAA
SCHEMBL3689392 0.81 TSHR (0.48) TSHRALDH1A1KMT2APKMGAA
SCHEMBL2045474 0.80 TSHR (0.44) TSHRALDH1A1PKMGAACYP2C19
SCHEMBL2045476 0.80 TSHR (0.44) TSHRALDH1A1PKMGAACYP2C19
SCHEMBL31209958 0.80 GAA (0.36) TSHRKMT2AGAACYP2C19TYMP
SCHEMBL3689389 0.79 TSHR (0.47) TSHRALDH1A1KMT2APKMGAA
SCHEMBL9900446 0.79 CES2 (0.50) TSHRALDH1A1KMT2AGAACYP2C19

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-102105053-B Thickener for plant-compatible concentrates that can be dispersed in water BAYER CROPSCIENCE AG (DE) 2014-10-15 CN disclosed
CN-102105053-A Thickener for plant-compatible concentrates that can be dispersed in water BAYER CROPSCIENCE AG 2011-06-22 CN disclosed