SCHEMBL28080900

SCHEMBL28080900

O=CC(=O)c1c(-c2ccccc2)c(-c2ccccc2)cn1CC=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
PAM P19021 1/20 0.39
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MCHR1 Q99705 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 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
SCHEMBL28080836 0.79 F2RL3 (0.39) LMNAALDH1A1GAA
SCHEMBL28080891 0.76 ALDH1A1 (0.44) LMNAMEN1KMT2AMAPTALDH1A1
Benzene SCHEMBL28080834 0.75 CNR2 (0.43) ALDH1A1KDM4E
SCHEMBL28080903 0.74 ALDH1A1 (0.43) LMNAMEN1KMT2AUSP2ALDH1A1
SCHEMBL28080840 0.74 COMT (0.41) MAPTSMN1; SMN2TDP1HDAC3HDAC4
SCHEMBL28080837 0.72 TEAD3 (0.40) MEN1KMT2AGAASMN1; SMN2HTT
SCHEMBL28080843 0.71 CYP11B1 (0.44) LMNAMAPTALDH1A1HTTNPSR1
SCHEMBL28080828 0.71 CCR2 (0.46) MEN1KMT2AHTT
SCHEMBL28080966 0.71 GFER (0.46) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28080894 0.71 ALDH1A1 (0.47) LMNAMAPTALDH1A1SMN1; SMN2HTT

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