SCHEMBL5405534

SCHEMBL5405534

[NH]c1ccc2[nH]cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
PRKCI P41743 1/20 0.44
RAD52 P43351 1/20 0.42
MMP12 P39900 1/20 0.40
CYP3A4 P08684 1/20 0.39
NAMPT P43490 1/20 0.39
XDH P47989 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
QPCT Q16769 3/20 0.35
QPCTL Q9NXS2 3/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 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
SCHEMBL1286646 0.78 MAPT (0.47) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL22076879 0.74 MAPT (0.47) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL10903 0.74 PARP1 (0.56) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL115965 0.74 PRKCI (0.70) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL903276 0.74 PARP1 (0.52) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL4740274 0.74 PARP1 (0.52) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL10757 0.74 CHEK1 (0.52) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL1052336 0.74 MAPT (0.47) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL352025 0.74 LMNA (0.55) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL2022694 0.74 MAPT (0.42) MAPTKDM4EALDH1A1TDP1APEX1

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-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
EP-0832091-B1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR INC (US) 2004-01-14 EP disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed