SCHEMBL4414820

SCHEMBL4414820

Nc1ccc(-n2cccc2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAPT P10636 6/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 6/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 2/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL8140854 0.83 ATM (0.48) MAPTKMT2AMEN1GAARAB9A
SCHEMBL28289189 0.81 NOTUM (0.41) MAPTKMT2AMEN1LMNAGAA
SCHEMBL29264051 0.77 SLC6A4 (0.37) RAB9AALDH1A1NPC1
SCHEMBL76912 0.73 SMN1; SMN2 (0.52) MKNK1MKNK2GAARAB9ASMN1; SMN2
SCHEMBL27881807 0.73 ALDH1A1 (0.41) MKNK1MKNK2MAPTKMT2ALMNA
SCHEMBL15058294 0.71 POLB (0.50) SMN1; SMN2HTTPOLBRECQLL3MBTL1
SCHEMBL3834300 0.71 ALDH1A1 (0.40) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL6105687 0.71 RAB9A (0.45) MKNK1MKNK2MAPTKMT2AMEN1
SCHEMBL3081572 0.67 MKNK1 (0.41) MKNK1MKNK2MAPTKMT2AMEN1
SCHEMBL296099 0.67 MAPT (0.56) MAPTKMT2AMEN1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8262881-B2 Method for finger-printing heparins VIRGINIA COMMONWEALTH UNIVERSITY (US) 2012-09-11 US disclosed
US-20110048946-A1 METHOD FOR FINGER-PRINTING HEPARINS VIRGINIA COMMONWEALTH UNIVERSITY 2011-03-03 US disclosed
WO-2009108845-A2 METHOD FOR FINGER-PRINTING HEPARINS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2009-09-03 WO disclosed