SCHEMBL11074666

SCHEMBL11074666

CC(CCCI)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ POLB P06746 3/20 0.46
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ TNF P01375 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 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
SCHEMBL29740522 0.84 TDP1 (0.56) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL5277177 0.84 TDP1 (0.56) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL11534866 0.84 TDP1 (0.56) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL19588472 0.83 TDP1 (0.62) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL30423475 0.83 TDP1 (0.54) TDP1POLBLMNAALDH1A1L3MBTL1
SCHEMBL29257418 0.83 TDP1 (0.54) TDP1POLBLMNAALDH1A1L3MBTL1
SCHEMBL7395617 0.83 TDP1 (0.54) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL8732975 0.81 TDP1 (0.61) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL13455143 0.81 TDP1 (0.53) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL5274914 0.81 TDP1 (0.53) TDP1POLBLMNAALDH1A1KDM4E

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-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 — — US claimed
US-4431807-A PARASITICIDES; MALARIA; TISSUE AND BLOOD DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-02-14 — — US disclosed
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 — — US disclosed
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