SCHEMBL13699374

SCHEMBL13699374

CCNC(=O)c1ccc2nn(-c3cc(CO)ccc3C)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
MAPK14 Q16539 6/20 0.41
TP53 P04637 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP2C9 P11712 4/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
PDE2A O00408 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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 0.89 TP53 (0.40) MAPTTHRBTP53ALDH1A1CYP2C9
SCHEMBL13700414 0.81 MAPT (0.38) MAPTTHRBMAPK14TP53ALDH1A1
SCHEMBL13700404 0.80 MAPT (0.39) MAPTTHRBTP53ALDH1A1HPGD
SCHEMBL13700703 0.75 MAPT (0.37) MAPTTHRBTP53ALDH1A1CYP2C9
SCHEMBL13699412 0.75 MAPT (0.37) MAPTTHRBTP53ALDH1A1HPGD
SCHEMBL13700442 0.74 HSP90AA1 (0.37) MAPTTP53ALDH1A1CYP2C9HPGD
SCHEMBL13700464 0.74 GAA (0.37) MAPTTP53ALDH1A1HPGDKDM4E
SCHEMBL13700394 0.74 CA12 (0.50) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13699458 0.73 KDM4E (0.37) MAPTTHRBTP53ALDH1A1HPGD
SCHEMBL13700393 0.72 CA12 (0.44) MAPTTP53ALDH1A1CYP2C9HPGD

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

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