SCHEMBL6606077

SCHEMBL6606077

O=C(CNC(=O)O)Cc1cc(F)cc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK8 P45983 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
RIPK1 Q13546 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
METAP2 P50579 3/20 0.34
RAB9A P51151 2/20 0.34
SRC P12931 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 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
SCHEMBL4660680 0.83 RAB9A (0.49) MAPK8SIGMAR1RAB9ASRCPOLB
SCHEMBL7965958 0.81 RAB9A (0.51) KMT2ARAB9APOLBALDH1A1TP53
SCHEMBL6863580 0.80 CES2 (0.46) KMT2AMEN1MAPK8SIGMAR1CES2
SCHEMBL5907106 0.79 MEN1 (0.41) KMT2AMEN1MAPK8SIGMAR1CES2
SCHEMBL4662034 0.78 TACR1 (0.40) KMT2AMEN1RAB9AALDH1A1
SCHEMBL3563691 0.76 METAP2 (0.47) KMT2AMEN1RIPK1CES2CES1
SCHEMBL6349425 0.76 CTSS (0.40) KMT2AMEN1MAPK8SIGMAR1ALDH1A1
SCHEMBL4659342 0.75 MMP13 (0.48) KMT2AMEN1ALDH1A1LMNA
SCHEMBL4660654 0.75 KMT2A (0.42) KMT2AMEN1RAB9AALDH1A1TP53
SCHEMBL4582402 0.75 CES1 (0.52) KMT2AMEN1CES2CES1RAB9A

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-1395251-A2 AMINEDIOLS AS AGENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP disclosed
WO-2002100818-A2 AMINEDIOLS AS AGENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed