SCHEMBL13700403

SCHEMBL13700403

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IP6K1 Q92551 1/20 0.36
NAMPT P43490 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
RORC P51449 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PDE2A O00408 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL13700404 0.91 MAPT (0.39) TP53NPC1LMNARAB9AMAPT
SCHEMBL13699374 0.89 MAPT (0.43) TP53MAPTKDM4ETHRBMEN1
SCHEMBL13700393 0.84 CA12 (0.44) TP53NPC1LMNARAB9AMAPT
SCHEMBL13700398 0.83 ALDH1A1 (0.48) TP53NPC1LMNARAB9AMAPT
SCHEMBL13700389 0.83 MEN1 (0.41) NPC1LMNARAB9AMAPTKDM4E
SCHEMBL13700394 0.83 CA12 (0.50) NPC1LMNARAB9AMAPTALDH1A1
SCHEMBL13699485 0.82 KMT2A (0.43) NPC1LMNARAB9AMEN1KMT2A
SCHEMBL13700392 0.79 NPC1 (0.47) TP53NPC1LMNARAB9AMAPT
SCHEMBL13700414 0.78 MAPT (0.38) TP53LMNAMAPTKDM4ETHRB
SCHEMBL13700703 0.78 MAPT (0.37) TP53LMNAMAPTKDM4ETHRB

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