SCHEMBL4359831

SCHEMBL4359831

O=C(NCn1cnc2ccccc21)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
EGLN3 Q9H6Z9 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
IDO1 P14902 5/20 0.53
APAF1 O14727 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
FDPS P14324 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TNF P01375 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50

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
SCHEMBL305356 0.86 EGLN3 (0.60) HDAC1HDAC6EGLN3SMN1; SMN2LMNA
SCHEMBL16446114 0.82 KDM4E (0.60) HDAC1HDAC6EGLN3SMN1; SMN2LMNA
SCHEMBL11825136 0.81 L3MBTL1 (0.54) HDAC1HDAC6SMN1; SMN2LMNAL3MBTL1
SCHEMBL18825270 0.77 CA12 (0.71) EGLN3SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL12417240 0.76 AKR1C3 (0.50) HDAC1HDAC6EGLN3SMN1; SMN2LMNA
SCHEMBL10454788 0.75 EGLN3 (0.66) EGLN3SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1035783 0.74 EGLN3 (0.71) EGLN3SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL8017568 0.74 TDP1 (0.56) EGLN3SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL438390 0.73 MGAM (0.62) EGLN3SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL12850040 0.73 HDAC6 (1.00) HDAC1HDAC6SMN1; SMN2LMNAIDO1

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
US-20090209046-A1 Neutral Pharmaceuticals MOULTON BRIAN DOUGLAS 2009-08-20 US disclosed
WO-2007139731-A1 NEUTRAL PHARMACEUTICALS BROWN UNIVERSITY (US) 2007-12-06 WO disclosed