SCHEMBL7361925

SCHEMBL7361925

COC(=O)c1cccnc1C(=O)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL7364613 0.90 TDP1 (0.49) TDP1HSD17B10NPC1RAB9AALDH1A1
SCHEMBL7370453 0.88 ALOX15 (0.50) TDP1NPC1RAB9AALDH1A1KDM4E
SCHEMBL1252335 0.84 PBRM1 (0.45) TDP1HSD17B10NPC1RAB9AALDH1A1
SCHEMBL7362970 0.84 MEN1 (0.49) TDP1NPC1RAB9AALDH1A1KDM4E
SCHEMBL7362471 0.84 PKM (0.49) TDP1NPC1RAB9AALDH1A1KDM4E
SCHEMBL7365802 0.83 MAPT (0.56) TDP1NPC1RAB9AALDH1A1KDM4E
SCHEMBL7364891 0.83 TDP1 (0.56) TDP1HSD17B10RAB9AALDH1A1KDM4E
SCHEMBL7367891 0.80 MEN1 (0.52) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7365348 0.80 KMT2A (0.51) TDP1NPC1RAB9AALDH1A1KDM4E
SCHEMBL7362977 0.80 ALDH1A1 (0.45) TDP1NPC1RAB9AALDH1A1KDM4E

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