SCHEMBL9035520

SCHEMBL9035520

O=[N+]([O-])c1cccc(CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
SETD7 Q8WTS6 2/20 0.51
MAPK1 P28482 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45

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
Hydrochloric Acid SCHEMBL7213845 0.99 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL9034261 0.87 SETD7 (0.54) MEN1KMT2AALDH1A1KDM4ESETD7
Hydrochloric Acid SCHEMBL7212354 0.86 SETD7 (0.53) MEN1KMT2AALDH1A1KDM4ESETD7
SCHEMBL9035852 0.80 SETD7 (0.68) MEN1KMT2AALDH1A1SETD7POLB
SCHEMBL9035321 0.80 SIGMAR1 (0.58) MEN1KMT2AALDH1A1KDM4ESETD7
SCHEMBL9035699 0.80 SETD7 (0.60) MEN1KMT2AALDH1A1KDM4ESETD7
SCHEMBL7298412 0.80 SETD7 (0.57) MEN1KMT2AALDH1A1SETD7LMNA
SCHEMBL9034482 0.80 SETD7 (0.57) MEN1KMT2AALDH1A1SETD7SMN1; SMN2
SCHEMBL9035031 0.79 SIGMAR1 (0.60) MEN1KMT2AALDH1A1KDM4ESETD7
Hydrochloric Acid SCHEMBL7212544 0.79 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4ETDP1

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
EP-0371805-B1 Piperidine derivatives and hypotensives containing the same AJINOMOTO KK (JP) 1996-06-26 EP claimed
EP-0371805-A2 Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1990-06-06 EP claimed