SCHEMBL13699386

SCHEMBL13699386

O=[N+]([O-])c1ccc2nn(-c3cc(CO)ccc3O)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ERN1 O75460 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR35 Q9HC97 1/20 0.41
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.39
TXNRD1 Q16881 1/20 0.39

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
SCHEMBL13699442 0.90 MEN1 (0.65) MEN1KMT2AERN1ALDH1A1SMN1; SMN2
SCHEMBL76414 0.79 NPC1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL30240912 0.79 NPC1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL13700392 0.79 NPC1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL13699403 0.79 NPC1 (0.43) MEN1KMT2ASMN1; SMN2TP53HPGD
SCHEMBL25407918 0.79 KMT2A (0.53) MEN1KMT2AERN1ALDH1A1SMN1; SMN2
SCHEMBL13700389 0.78 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL110256 0.78 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL29381890 0.78 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL13699485 0.77 KMT2A (0.43) MEN1KMT2AERN1ALDH1A1SMN1; SMN2

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