SCHEMBL4941286

SCHEMBL4941286

CCc1cc(-c2ccc(C(=N)N3CCCC3)cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3988495 0.83 NOTUM (0.39) NOTUMPKMLMNAPOLBALDH1A1
SCHEMBL3982881 0.82 HPGD (0.40) NOTUMPKMLMNAPOLBNPC1
SCHEMBL3988494 0.81 POLB (0.40) NOTUMPKMLMNAPOLBALDH1A1
SCHEMBL3979792 0.81 NOTUM (0.39) NOTUMPKMLMNAPOLBALDH1A1
SCHEMBL3982878 0.80 POLB (0.39) NOTUMPKMLMNAPOLBALDH1A1
SCHEMBL3984166 0.76 HPGD (0.41) MEN1KMT2ALMNATP53POLB
SCHEMBL1096781 0.76 USP30 (0.40) NOTUMMEN1KMT2APKMLMNA
SCHEMBL3989804 0.75 HPGD (0.42) LMNAPOLBNPC1RAB9A
SCHEMBL1096337 0.75 USP30 (0.39) NOTUMPKMLMNAPOLBALDH1A1
SCHEMBL3989769 0.74 LMNA (0.38) LMNATP53POLBALDH1A1MAPT

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 claimed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed