SCHEMBL9113048

SCHEMBL9113048

CC(=O)[N]C(=O)/C=C/c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.62
▸ GLA P06280 1/20 0.62
▸ MAPT P10636 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HDAC3 O15379 2/20 0.55
▸ HDAC4 P56524 2/20 0.55
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ PLIN1 O60240 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ PLIN5 Q00G26 2/20 0.55
▸ ABHD5 Q8WTS1 2/20 0.55
▸ F3 P13726 2/20 0.55
▸ TNKS O95271 1/20 0.55
▸ HCAR2 Q8TDS4 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55

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
SCHEMBL9113056 1.00 TDP1 (0.62) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL4029202 0.88 MAPT (0.64) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL4023735 0.88 MAPT (0.64) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL11476916 0.80 TDP1 (0.61) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL11476908 0.80 TDP1 (0.61) TDP1GLAMAPTALDH1A1HDAC3
Butenone SCHEMBL28795707 0.79 TDP1 (0.95) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL16588259 0.78 HDAC1 (0.61) TDP1GLAMAPTALDH1A1HDAC3
Butenone SCHEMBL312972 0.77 TDP1 (1.00) TDP1GLAMAPTALDH1A1HDAC3
Butenone SCHEMBL12984182 0.77 TDP1 (1.00) TDP1GLAMAPTALDH1A1HDAC3
Butenone SCHEMBL76632 0.77 TDP1 (1.00) TDP1GLAMAPTALDH1A1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 — — EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 — — WO disclosed
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