SCHEMBL8568547

SCHEMBL8568547

O=C(Cl)OCCN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8561623 0.89 LMNA (0.46) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL9423512 0.84 MEN1 (0.46) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL9423515 0.82 MEN1 (0.45) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL8564311 0.82 KMT2A (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL5953471 0.81 SLC18A3 (0.49) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL26698256 0.81 MEN1 (0.44) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL6971664 0.81 SLC18A3 (0.49) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL10386591 0.80 KMT2A (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7421281 0.79 SLC18A3 (0.48) KDM4EALDH1A1MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL6498838 0.79 SLC18A3 (0.48) KDM4EALDH1A1MEN1KMT2ATDP1

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
US-5705497-A INOTROPIC, ANTIARRHYTHMIA AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-01-06 US disclosed