SCHEMBL11368552

SCHEMBL11368552

CC(C)(C)c1ccc(OCC(O)CN2CCN(C(N)=O)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
MAPT P10636 2/20 0.64
USP2 O75604 2/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.56
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.54
ATM Q13315 1/20 0.52
ABCB1 P08183 2/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL11370596 0.86 KDM4E (0.67) KMT2AMEN1MAPTUSP2KDM4E
SCHEMBL11377484 0.86 USP2 (0.77) KMT2AMEN1MAPTUSP2ALDH1A1
SCHEMBL11362587 0.85 MAPT (0.60) KMT2AMEN1MAPTUSP2KDM4E
SCHEMBL12259241 0.84 KMT2A (0.96) KMT2AMEN1MAPTUSP2ALDH1A1
SCHEMBL11370338 0.84 KCNH2 (0.68) KMT2AMAPTUSP2SMN1; SMN2KDM4E
SCHEMBL11378959 0.84 L3MBTL1 (0.74) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL31510206 0.84 MAPT (0.70) KMT2AMEN1MAPTUSP2ALDH1A1
SCHEMBL11365440 0.81 TSHR (0.70) KMT2AMEN1MAPTUSP2ALDH1A1
SCHEMBL11366315 0.80 L3MBTL1 (0.79) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11371054 0.80 MAPT (0.54) KMT2AMEN1MAPTUSP2ALDH1A1

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-4269838-A ADRENERGIC BLOCKING AGENTS; ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS NIPPON SHINYAKU CO. LTD. (JP) 1981-05-26 US claimed