SCHEMBL13700404

SCHEMBL13700404

CCNC(=O)c1ccc2nn(-c3cc(CCO)ccc3O)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
MYC P01106 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
DHODH Q02127 1/20 0.36
MEN1 O00255 1/20 0.35
IP6K1 Q92551 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL13700403 0.91 TP53 (0.40) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL13700414 0.85 MAPT (0.38) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL13700400 0.84 CYP4A11 (0.49) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL13700703 0.84 MAPT (0.37) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL13699390 0.84 KDM4E (0.40) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL13700405 0.84 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL13700399 0.83 CA12 (0.48) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL13699412 0.83 MAPT (0.37) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL13699450 0.83 KMT2A (0.41) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL13700464 0.83 GAA (0.37) MAPTKDM4EALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324399-B2 Heat resistance improver and reversible thermosensitive recording medium RICOH COMPANY, LTD. (JP) 2012-12-04 US disclosed
US-8324399-B2 Heat resistance improver and reversible thermosensitive recording medium RICOH COMPANY, LTD. (JP) 2012-12-04 US disclosed
US-20090239747-A1 HEAT RESISTANCE IMPROVER AND REVERSIBLE THERMOSENSITIVE RECORDING MEDIUM RICOH COMPANY, LTD. (JP) 2009-09-24 US disclosed
US-20090239747-A1 HEAT RESISTANCE IMPROVER AND REVERSIBLE THERMOSENSITIVE RECORDING MEDIUM RICOH COMPANY, LTD. (JP) 2009-09-24 US disclosed