SCHEMBL7369720

SCHEMBL7369720

COC(=O)c1ncccc1C(=O)c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.49
PKM P14618 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2C8 P10632 1/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 1/20 0.47
PARP1 P09874 1/20 0.47
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46

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
SCHEMBL7362471 0.90 PKM (0.49) ELANEPKMMEN1MAPK1KMT2A
SCHEMBL7370589 0.88 ALDH1A1 (0.55) PKMMEN1MAPK1KMT2AHTT
SCHEMBL7365118 0.88 ALOX15 (0.50) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL7364122 0.85 KMT2A (0.52) PKMMEN1KMT2AHTTNPC1
SCHEMBL7364444 0.84 MEN1 (0.49) PKMMEN1KMT2ANPC1RAB9A
SCHEMBL7364613 0.84 TDP1 (0.49) ELANEPKMMEN1KMT2AHTT
SCHEMBL2211216 0.83 L3MBTL1 (0.53) ELANEPKMKMT2AHTTRAB9A
SCHEMBL8694860 0.83 KMT2A (0.56) PKMMEN1MAPK1KMT2AHTT
SCHEMBL7364528 0.83 HTT (0.56) PKMMEN1MAPK1KMT2AHTT
SCHEMBL5365864 0.81 CES2 (0.51) PKMMEN1MAPK1KMT2AHTT

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