SCHEMBL6447527

SCHEMBL6447527

N#CCCNC(=O)C(CNC(=O)c1ccccc1F)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
P2RX7 Q99572 2/20 0.37
GAA P10253 1/20 0.37
ADRB2 P07550 1/20 0.36

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
SCHEMBL6443471 0.92 RAB9A (0.46) LMNACTSSCTSKNPC1RAB9A
SCHEMBL6442799 0.89 CTSK (0.54) LMNACTSSCTSKNPC1RAB9A
SCHEMBL6825007 0.88 KDM4E (0.47) LMNACTSSCTSKMAPTALDH1A1
SCHEMBL6447483 0.86 ATM (0.49) LMNACTSSCTSKNPC1RAB9A
SCHEMBL6445664 0.84 ALDH1A1 (0.45) LMNACTSSCTSKNPC1RAB9A
SCHEMBL6443745 0.84 CTSS (0.47) CTSSCTSKNPC1RAB9ASMN1; SMN2
SCHEMBL6443484 0.82 CTSK (0.55) LMNACTSSCTSKNPC1RAB9A
SCHEMBL6448077 0.81 KDM4E (0.54) LMNACTSSCTSKNPC1RAB9A
SCHEMBL30827958 0.79 NPC1 (0.60) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6822581 0.79 GAA (0.43) NPC1RAB9AMAPTSMN1; SMN2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed