SCHEMBL21711063

SCHEMBL21711063

NCC(CN)N1CCNC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
FAAH O00519 1/20 0.36
NAAA Q02083 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
PER2 O15055 1/20 0.31
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31

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
SCHEMBL25805083 0.81 ALDH1A1 (0.31) ALDH1A1POLBTOP2ATOP2B
SCHEMBL20733249 0.79 TOP2A (0.37) ALDH1A1POLBFAAHNAAATOP2A
SCHEMBL10885533 0.78 ALDH1A1 (0.33) ALDH1A1POLBFAAHNAAANPSR1
SCHEMBL5569564 0.75
SCHEMBL10846532 0.72 TOP2A (0.38) ALDH1A1NPSR1MAPTTOP2ATOP2B
SCHEMBL8419203 0.72 TOP2A (0.38) ALDH1A1POLBFAAHNAAANPSR1
SCHEMBL278452 0.72 PER2 (0.33) ALDH1A1POLBFAAHNAAANPSR1
SCHEMBL29237864 0.71 TOP2A (0.36) ALDH1A1POLBFAAHNAAANPSR1
SCHEMBL367449 0.71
SCHEMBL530825 0.71

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-11135544-B2 Acidic gas absorbent, acidic gas removal method and acidic gas removal apparatus KABUSHIKI KAISHA TOSHIBA (JP) 2021-10-05 US disclosed
US-20200047110-A1 ACIDIC GAS ABSORBENT, ACIDIC GAS REMOVAL METHOD AND ACIDIC GAS REMOVAL APPARATUS KABUSHIKI KAISHA TOSHIBA (JP) 2020-02-13 US disclosed