SCHEMBL8154608

SCHEMBL8154608

CC(C)(C)CN(Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
CTSK P43235 1/20 0.42
LMNA P02545 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.41
MME P08473 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.39
FOLH1 Q04609 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 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
SCHEMBL1871489 0.85 TAAR1 (0.47) MEN1KMT2ACTSKMMEPOLB
SCHEMBL2177178 0.83 PTGES (0.58) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL17468507 0.80 LMNA (0.44) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL7021355 0.78 PTGES (0.43) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL1156558 0.76 PKM (0.38) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL68236 0.76 HSP90AA1 (0.34) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL1684422 0.75 MEN1 (0.55) MEN1KMT2ALMNAALDH1A1MME
SCHEMBL7025759 0.74 GRIN2D (0.43) MEN1KMT2ALMNAL3MBTL1RECQL
SCHEMBL13900616 0.74 LMNA (0.51) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL15055351 0.74 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1SMN1; SMN2

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-2000014109-A1 BASIC PRODUCTS HAVING ANTAGONISTIC ACTIVITY ON THE NK-1 RECEPTOR AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS MENARINI RICERCHE S.P.A. (IT) 2000-03-16 WO disclosed