SCHEMBL7368513

SCHEMBL7368513

COC(=O)c1ncccc1C(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
COMT P21964 1/20 0.50
AKR1C3 P42330 1/20 0.47
ALDH1A1 P00352 5/20 0.45
HTT P42858 2/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
AHR P35869 1/20 0.43
RAB9A P51151 1/20 0.43
EGFR P00533 1/20 0.42
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL7368006 0.91 L3MBTL1 (0.53) TDP1KDM4EL3MBTL1ALDH1A1HTT
SCHEMBL7366038 0.88 KDM4E (0.50) TDP1KDM4EL3MBTL1COMTAKR1C3
SCHEMBL7367762 0.88 L3MBTL1 (0.50) TDP1KDM4EL3MBTL1AKR1C3ALDH1A1
SCHEMBL2211216 0.88 L3MBTL1 (0.53) TDP1KDM4EL3MBTL1AKR1C3ALDH1A1
SCHEMBL7370163 0.87 L3MBTL1 (0.49) TDP1KDM4EL3MBTL1ALDH1A1HTT
SCHEMBL7364122 0.87 KMT2A (0.52) TDP1KDM4EL3MBTL1ALDH1A1HTT
SCHEMBL10480612 0.87 L3MBTL1 (0.49) TDP1L3MBTL1HTTALOX15MEN1
SCHEMBL7365837 0.85 L3MBTL1 (0.47) TDP1KDM4EL3MBTL1ALDH1A1HTT
SCHEMBL7368450 0.83 L3MBTL1 (0.46) TDP1KDM4EL3MBTL1ALDH1A1HTT
SCHEMBL6987666 0.83 ALDH1A1 (0.61) TDP1KDM4EL3MBTL1COMTAKR1C3

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-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed