SCHEMBL14359201

SCHEMBL14359201

O=C1C2=C(CCCC2)C(=O)N1CCCCl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTR7 P34969 1/20 0.38
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PABPC1 P11940 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10908051 0.85 HTR7 (0.43) KDM4ELMNAHTR7KMT2AALDH1A1
SCHEMBL7599227 0.78 MGLL (0.47) KDM4ELMNAHTR7KMT2AALDH1A1
SCHEMBL15998794 0.76 KDM4E (0.38) KDM4ELMNAHTR7KMT2AALDH1A1
SCHEMBL7263257 0.75 HTR7 (0.39) KDM4ELMNAHTR7ALDH1A1L3MBTL1
SCHEMBL7802057 0.75 MEN1 (0.47) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL21389153 0.74 KDM4E (0.42) KDM4ELMNAHTR7USP2NPSR1
SCHEMBL10262842 0.74 KDM4E (0.42) KDM4ELMNAHTR7KMT2AALDH1A1
SCHEMBL6273408 0.74 MEN1 (0.55) HTR7KMT2AMEN1POLB
SCHEMBL6866079 0.73 MEN1 (0.44) LMNAHTR7KMT2AALDH1A1MEN1
SCHEMBL3001679 0.71 ALDH1A1 (0.40) KDM4ELMNAHTR7KMT2AALDH1A1

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
WO-2013001498-A1 AMIDOALKYLPIPERAZINYL DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES ADAMED SP. Z O.O. (PL) 2013-01-03 WO disclosed