SCHEMBL6620113

SCHEMBL6620113

COc1ccc(C(=O)C=O)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
LMNA P02545 2/20 0.67
MAPK1 P28482 1/20 0.67
RAB9A P51151 1/20 0.67
TUBB1 Q9H4B7 4/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 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
SCHEMBL9054359 0.97 LMNA (0.63) HTTLMNAMAPK1RAB9ATUBB1
SCHEMBL8887041 0.92 HTT (0.58) HTTLMNAMAPK1RAB9AABCG2
SCHEMBL20007006 0.85 HTT (0.65) HTTLMNAMAPK1RAB9ATUBB1
SCHEMBL4281872 0.84 CYP1A2 (0.66) LMNAMAPK1ABCG2MAPTALDH1A1
Water SCHEMBL30477093 0.82 CYP1A2 (0.63) LMNAMAPK1ABCG2MAPTALDH1A1
Water SCHEMBL29060509 0.82 CYP1A2 (0.63) LMNAMAPK1ABCG2MAPTALDH1A1
SCHEMBL9806815 0.82 LMNA (0.61) HTTLMNAMAPK1RAB9ATUBB1
SCHEMBL726699 0.82 LMNA (0.66) HTTLMNAMAPK1RAB9ATUBB1
SCHEMBL8098735 0.82 LMNA (0.66) HTTLMNAMAPK1RAB9ATUBB1
SCHEMBL9806817 0.82 LMNA (0.61) HTTLMNAMAPK1RAB9ATUBB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779889-B1 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE AVENTIS PHARMA INC (US) 2004-06-23 EP disclosed
EP-0779889-A4 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE POULENC RORER PHARMA (US) 2000-02-23 EP disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
EP-0779889-A1 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-06-25 EP disclosed
WO-1996007658-A1 PYRAZOLO[3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-03-14 WO disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5476851-A Administering as therapeutic agents for various disease states which are characterized by uncontrolled cellular proliferation RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1995-12-19 US disclosed