SCHEMBL28690294

SCHEMBL28690294

COCCCN1CCN(c2ccc(C=O)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DRD2 P14416 7/20 0.48
HTR2A P28223 6/20 0.48
HTR1A P08908 5/20 0.48
DRD3 P35462 4/20 0.48
TMEM97 Q5BJF2 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
HRH1 P35367 2/20 0.48
HTR7 P34969 3/20 0.46
ADRA1A P35348 1/20 0.46
HRH3 Q9Y5N1 3/20 0.44
KCNH2 Q12809 2/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL28699857 0.96 ALDH1A1 (0.56) ALDH1A1TRIM24TRIM33HSD17B10KDM4E
SCHEMBL19057548 0.91 ALDH1A1 (0.61) ALDH1A1TRIM24TRIM33HSD17B10KDM4E
SCHEMBL28694827 0.89 ALDH1A1 (0.55) ALDH1A1TRIM24TRIM33HSD17B10KDM4E
SCHEMBL28703960 0.86 TRIM24 (0.55) ALDH1A1TRIM24TRIM33HSD17B10KDM4E
SCHEMBL377522 0.84 ALDH1A1 (0.63) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL23922764 0.83 ALDH1A1 (0.58) ALDH1A1TRIM24TRIM33HSD17B10KDM4E
SCHEMBL13103801 0.82 DRD2 (0.56) ALDH1A1HSD17B10KDM4EDRD2HTR2A
SCHEMBL10900857 0.81 KDM4E (0.67) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL19297522 0.81 SLC6A2 (0.60) HSD17B10KDM4EDRD2HTR2AHTR1A
SCHEMBL23097718 0.81 DRD2 (0.68) HSD17B10KDM4EDRD2HTR2AHTR1A

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
CN-109563092-B 2-phenylimidazo [4,5-B ] pyridin-7-amine derivatives useful as inhibitors of the activity of the mammalian tyrosine kinase ROR1 坎塞拉有限公司 2021-09-14 CN disclosed