SCHEMBL28080836

SCHEMBL28080836

O=CC(=O)c1c(-c2ccccc2)c(-c2ccccc2)cn1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
BRD4 O60885 2/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
SERPINE1 P05121 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
ADRA1D P25100 1/20 0.37
KCNH2 Q12809 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAPK8 P45983 1/20 0.37
AR P10275 1/20 0.36
NOTUM Q6P988 1/20 0.36
LMNA P02545 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL28080903 0.92 ALDH1A1 (0.43) ADRA1DLMNAALDH1A1
SCHEMBL28080894 0.90 ALDH1A1 (0.47) BRD4ADRA1DLMNAALDH1A1
SCHEMBL28080828 0.88 CCR2 (0.46)
SCHEMBL28080843 0.88 CYP11B1 (0.44) ARLMNAALDH1A1
SCHEMBL28080966 0.88 GFER (0.46) MAPK8LMNAALDH1A1
SCHEMBL28831833 0.86 GPR52 (0.40) GAAADRA1DMAPK8GPR52ALDH1A1
SCHEMBL28080891 0.85 ALDH1A1 (0.44) BRD4ADRA1DLMNAALDH1A1
SCHEMBL27962502 0.85 HDAC4 (0.37) TSHRBRD4SERPINE1GPR52
SCHEMBL28080840 0.84 COMT (0.41) ADRA1DMAPK8GPR52
SCHEMBL28831826 0.82 AR (0.41) ADRA1DARLMNAALDH1A1

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-103804108-B A kind of method preparing primary amine 沈阳药科大学 2016-08-03 CN disclosed