SCHEMBL19259524

SCHEMBL19259524

[CH]1CCOOc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
LMNA P02545 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
UBE2N P61088 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL131072 0.77 ITGB2 (0.52) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL118249 0.77 ABCG2 (0.35) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL395819 0.65 KDM4E (0.33) ITGB2ICAM1ITGALABCG2MEN1
SCHEMBL29788643 0.64 MAOA (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL29788642 0.64 MAOA (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL895328 0.64 MAOA (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL8517 0.64 MAOA (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL107468 0.64 MAOA (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL1162919 0.64 ALOX12 (0.33) LMNAMAPTTSHR
SCHEMBL11557711 0.62 MAOA (0.39) ITGB2ICAM1ITGALLMNACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416947-A1 TAF1 INHIBITORS FOR THE THERAPY OF CANCER CeMM - Forschungszentrum für Molekulare Medizin GmbH (AT) 2018-12-26 EP claimed
WO-2017140728-A1 TAF1 INHIBITORS FOR THE THERAPY OF CANCER CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2017-08-24 WO claimed
EP-3416947-A1 TAF1 INHIBITORS FOR THE THERAPY OF CANCER CeMM - Forschungszentrum für Molekulare Medizin GmbH (AT) 2018-12-26 EP disclosed
WO-2017140728-A1 TAF1 INHIBITORS FOR THE THERAPY OF CANCER CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2017-08-24 WO disclosed