SCHEMBL19487102

SCHEMBL19487102

CCNC(=O)n1nc(C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.48
ENPP3 O14638 4/20 0.46
ALPL P05186 4/20 0.46
XIAP P98170 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ASAH1 Q13510 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL32666117 0.87 TSHR (0.56) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL15911114 0.84 TSHR (0.53) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3810000 0.83 ASAH1 (0.60) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL32666111 0.83 ASAH1 (0.60) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13248693 0.83 TSHR (0.51) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL32666115 0.83 TSHR (0.51) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL22215259 0.81 TSHR (0.53) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL19483230 0.81 TSHR (0.50) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL24977106 0.81 ASAH1 (0.70) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL19728236 0.81 ASAH1 (0.70) TSHRALDH1A1MEN1KMT2ACYP1A2

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
US-20200227080-A1 CURING AGENT FOR MAGNETIC RECORDING MEDIUM, COMPOSITION FOR MAGNETIC RECORDING MEDIUM, MAGNETIC RECORDING MEDIUM, AND MANUFACTURING METHOD OF MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2020-07-16 US disclosed
US-20170301950-A1 SOLID ELECTROLYTE COMPOSITION, ELECTRODE SHEET FOR BATTERY USING THE SAME, ALL SOLID STATE SECONDARY BATTERY, AND METHOD FOR MANUFACTURING ELECTRODE SHEET FOR BATTERY AND ALL SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2017-10-19 US disclosed