SCHEMBL11700504

SCHEMBL11700504

COC1=CC(=O)C(NC(C)=O)=CC1=N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90B1 P14625 1/20 0.36
HKDC1 Q2TB90 1/20 0.35
CYP1A2 P05177 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL7898541 0.86 HSP90AA1 (0.45) TDP1HSP90AA1HSP90B1HKDC1CYP1A2
SCHEMBL11240568 0.79 TDP1 (0.39) TDP1HSP90AA1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11420097 0.70 SMN1; SMN2 (0.35) TDP1HSP90AA1HSP90B1CYP1A2SMN1; SMN2
SCHEMBL11412094 0.70 HSP90AA1 (0.44) TDP1HSP90AA1HSP90B1HKDC1SMN1; SMN2
SCHEMBL11252306 0.69 TDP1 (0.40) TDP1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL12242131 0.68 TDP1 (0.46) TDP1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL28654605 0.68 TDP1 (0.46) TDP1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL11241564 0.68 TDP1 (0.42) TDP1HSP90AA1SMN1; SMN2ALDH1A1MAPT
SCHEMBL12220409 0.67 TDP1 (0.45) TDP1CYP1A2SMN1; SMN2ALDH1A1MAPT
SCHEMBL11238262 0.67 TDP1 (0.38) TDP1CYP1A2SMN1; SMN2ALDH1A1MAPT

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
US-4008043-A Diphenylamines for dyeing keratinic fibers L'OREAL (FR) 1977-02-15 US disclosed