SCHEMBL4947858

SCHEMBL4947858

N=C(c1ccc(-c2cc(CNCC(=O)c3ccc(Cl)s3)on2)cc1)N1CCC(C(N)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 7/20 0.36
ALDH1A1 P00352 6/20 0.36
HTT P42858 4/20 0.36
JAK2 O60674 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
EPHX2 P34913 1/20 0.34
ATR Q13535 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
NOTUM Q6P988 1/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4947248 0.88 KCNH2 (0.43) LMNANPC1RAB9A
SCHEMBL1097250 0.84 USP30 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1096746 0.78 F10 (0.49) POLBLMNAKMT2AMEN1
SCHEMBL1095346 0.78 POLB (0.45) POLBSMN1; SMN2ALDH1A1HTTJAK2
SCHEMBL1106532 0.78 POLB (0.45) POLBSMN1; SMN2ALDH1A1HTTJAK2
SCHEMBL1096412 0.77 POLB (0.44) POLBSMN1; SMN2ALDH1A1HTTJAK2
SCHEMBL1096380 0.73 THRB (0.43) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL1096930 0.72 HPGD (0.40)
SCHEMBL1106534 0.72 USP30 (0.40) POLBSMN1; SMN2ALDH1A1HTTJAK2
SCHEMBL1096781 0.72 USP30 (0.40) POLBSMN1; SMN2ALDH1A1HTTJAK2

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-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed