SCHEMBL28694232

SCHEMBL28694232

CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 5/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 10/20 0.52
LMNA P02545 4/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 1/20 0.51
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EEF2K O00418 1/20 0.47

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
SCHEMBL28684205 0.81 ALDH1A1 (0.52) SMN1; SMN2POLBKMT2APKMALDH1A1
SCHEMBL30309447 0.80 KMT2A (0.61) SMN1; SMN2POLBKMT2APKMALDH1A1
SCHEMBL30309498 0.78 ALDH1A1 (0.52) SMN1; SMN2POLBKMT2APKMALDH1A1
SCHEMBL22164024 0.78 ALDH1A1 (0.52) SMN1; SMN2POLBKMT2APKMALDH1A1
SCHEMBL852655 0.76 ALDH1A1 (0.66) POLBKMT2AALDH1A1LMNAMEN1
SCHEMBL30309487 0.76 ALDH1A1 (0.66) POLBKMT2AALDH1A1LMNAMEN1
SCHEMBL17322968 0.75 GAA (0.60) KMT2AALDH1A1LMNAMEN1GAA
SCHEMBL8462703 0.74 HTT (0.60) SMN1; SMN2KMT2APKMALDH1A1LMNA
SCHEMBL30725831 0.74 HTT (0.60) SMN1; SMN2KMT2APKMALDH1A1LMNA
SCHEMBL15687836 0.74 KMT2A (0.51) SMN1; SMN2POLBKMT2AALDH1A1LMNA

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-113880814-B Pyrimidine amine compound and application thereof 杭州百诚医药科技股份有限公司 2024-01-05 CN disclosed
CN-113880814-A Pyrimidinamine compound and application thereof 杭州百诚医药科技股份有限公司 2022-01-04 CN disclosed