SCHEMBL13699485

SCHEMBL13699485

NC(=O)c1ccc2nn(-c3cc(CO)ccc3O)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
NAMPT P43490 1/20 0.37
EPHB4 P54760 1/20 0.35
FYN P06241 1/20 0.35
LCK P06239 1/20 0.35
JAK2 O60674 4/20 0.34
JAK1 P23458 4/20 0.34
TYK2 P29597 4/20 0.34
JAK3 P52333 4/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ERN1 O75460 1/20 0.33
CHEK2 O96017 3/20 0.33

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
SCHEMBL13699450 0.90 KMT2A (0.41) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL13700389 0.88 MEN1 (0.41) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL13700393 0.84 CA12 (0.44) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL13700394 0.83 CA12 (0.50) NPC1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL13699464 0.82 MEN1 (0.37) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL13700403 0.82 TP53 (0.40) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL13700398 0.81 ALDH1A1 (0.48) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL11608022 0.79 NPC1 (0.58) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL30240912 0.79 NPC1 (0.61) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL76414 0.79 NPC1 (0.61) KMT2AMEN1NPC1LMNARAB9A

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-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
EP-2103445-A1 Heat resistance improver and reversible thermosensitive recording medium Ricoh Company, Ltd. (JP) 2009-09-23 EP disclosed