SCHEMBL20072386

SCHEMBL20072386

C=C(C)C(=O)OCNC(=O)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 4/20 0.32
TBXAS1 P24557 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADRB2 P07550 4/20 0.31
ADRB1 P08588 4/20 0.31
ADRB3 P13945 4/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL2482514 0.89 THRB (0.37) THRBTSHRALDH1A1TBXAS1POLB
SCHEMBL2484705 0.84 TSHR (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL1148083 0.79 THRB (0.45) THRBTSHRALDH1A1TBXAS1POLB
SCHEMBL17589662 0.78 THRB (0.37) THRBTSHRALDH1A1TBXAS1POLB
SCHEMBL2033134 0.78 THRB (0.40) THRBTSHRALDH1A1TBXAS1POLB
SCHEMBL13225859 0.75 THRB (0.49) THRBTSHRALDH1A1TBXAS1POLB
SCHEMBL17285650 0.74 ALDH1A1 (0.35) ALDH1A1TBXAS1HTTMAPTSMN1; SMN2
SCHEMBL2577040 0.74 TSHR (0.42) THRBTSHRADRB2ADRB1ADRB3
SCHEMBL6808774 0.74 KMT2A (0.41) ALDH1A1HTTMAPTKMT2A
SCHEMBL27557158 0.73 ALDH1A1 (0.33) THRBALDH1A1TBXAS1HTTMAPT

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-20180105630-A1 METHOD FOR THE SYNTHESIS OF A COPOLYMER CONTAINING IMIDAZOLE PENDANT GROUPS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2018-04-19 US disclosed