SCHEMBL7364528

SCHEMBL7364528

COc1cccc(C(=O)c2ncccc2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
AGER Q15109 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2C8 P10632 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
DHODH Q02127 4/20 0.48
PARP1 P09874 1/20 0.48

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
SCHEMBL7370589 0.89 ALDH1A1 (0.55) HTTMEN1KMT2APKMMAPK1
SCHEMBL7362471 0.88 PKM (0.49) HTTMEN1KMT2APKMMAPK1
SCHEMBL2881107 0.85 ALDH1A1 (0.57) HTTMEN1KMT2APKMMAPK1
SCHEMBL7366436 0.84 KDM4E (0.51) HTTMEN1KMT2APKMMAPK1
SCHEMBL9174010 0.83 DHODH (0.50) ALDH1A1NPSR1KDM4EMAPTCYP3A4
SCHEMBL7369720 0.83 ELANE (0.49) HTTMEN1KMT2APKMMAPK1
SCHEMBL7370711 0.82 POLB (0.63) HTTMEN1KMT2AALDH1A1NPSR1
SCHEMBL9196432 0.80 POLB (0.64) HTTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL28747256 0.80 CES2 (0.51) HTTMEN1KMT2APKMMAPK1
SCHEMBL8569592 0.80 CDK5 (0.53) HTTMEN1KMT2APKMMAPK1

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 5 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
US-5405826-A Herbicidal pyridopyridazinones and pyridopyridazinethiones RHONE POULENC AGRICULTURE LIMITED (GB) 1995-04-11 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
EP-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 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