SCHEMBL9027159

SCHEMBL9027159

CC(C)Oc1cccc(C(=O)C2CC(CCOS(C)(=O)=O)(c3ccc4ccccc4c3)CCCN2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KAT6A Q92794 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9028740 0.89 KDM4E (0.39) KDM4EKMT2AMEN1GAAHTT
SCHEMBL9028345 0.80 KDM4E (0.42) KDM4EKMT2AMEN1GAAHTT
SCHEMBL9027155 0.78 MEN1 (0.52) KDM4EKMT2AMEN1GAAHTT
SCHEMBL8884481 0.77 MEN1 (0.47) KDM4EKMT2AMEN1GAAHTT
SCHEMBL9028275 0.73 CASP1 (0.39) KMT2AMEN1GAAHTTLMNA
SCHEMBL9027955 0.73 ALDH1A1 (0.39) KDM4EKMT2AMEN1GAAHTT
SCHEMBL9027499 0.72 TACR1 (0.44) SLC6A4SLC6A3
SCHEMBL9028585 0.71 TACR2 (0.45) KMT2AMEN1ALDH1A1POLBSLC6A4
SCHEMBL9027877 0.71 HRH1 (0.40) SLC6A4SLC6A3
SCHEMBL8884449 0.70 TACR2 (0.55) KMT2AMEN1

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
US-5563133-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed