SCHEMBL18985083

SCHEMBL18985083

NCC(=O)Cc1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.45
GAA P10253 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FDPS P14324 1/20 0.42
ALOX15 P16050 1/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TAAR1 Q96RJ0 6/20 0.39
ALDH1A1 P00352 2/20 0.38
FPR2 P25090 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 1/20 0.38
TERT O14746 1/20 0.37

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
SCHEMBL8519473 0.88 TBXAS1 (0.50) TBXAS1GAASMN1; SMN2FDPSALOX15
Imidazoleacetic Acid SCHEMBL28462628 0.83 TBXAS1 (0.51) TBXAS1GAASMN1; SMN2FDPSALOX15
Imidazoleacetic Acid SCHEMBL26627272 0.83 TBXAS1 (0.51) TBXAS1GAASMN1; SMN2FDPSALOX15
SCHEMBL7570268 0.81 TAAR1 (0.49) TBXAS1GAASMN1; SMN2FDPSALOX15
SCHEMBL9805578 0.81 TBXAS1 (0.45) TBXAS1GAASMN1; SMN2FDPSALOX15
SCHEMBL480968 0.80
SCHEMBL3783182 0.79 TBXAS1 (0.51) TBXAS1GAASMN1; SMN2FDPSALOX15
Hydrochloric Acid SCHEMBL9114299 0.78 TBXAS1 (0.49) TBXAS1GAASMN1; SMN2FDPSALOX15
Imidazoleacetic Acid SCHEMBL360337 0.78
SCHEMBL1261468 0.78

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-10173167-B2 Composite method of trapping carbon dioxide in gas mixture CHINA UNIVERSITY OF PETROLEUM-BEIJING (CN) 2019-01-08 US disclosed
US-20170173518-A1 COMPOSITE METHOD OF TRAPPING CARBON DIOXIDE IN GAS MIXTURE CHINA UNIVERSITY OF PETROLEUM-BEIJING (CN) 2017-06-22 US disclosed