SCHEMBL3135095

SCHEMBL3135095

COc1cc(-c2cccc(N(C)C)c2)ccc1-c1cc2ccccc2oc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.50
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 7/20 0.49
RAB9A P51151 4/20 0.49
MAOB P27338 1/20 0.49
MAPT P10636 7/20 0.48
HPGD P15428 5/20 0.48
LMNA P02545 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MIF P14174 1/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL3136457 0.92 PGR (0.57) PGRALDH1A1KDM4ERAB9AMAOB
SCHEMBL3131560 0.80 MAPT (0.61) ALDH1A1KDM4ERAB9AMAOBMAPT
Hydrochloric Acid SCHEMBL3134221 0.79 MAPT (0.60) ALDH1A1KDM4ERAB9AMAOBMAPT
SCHEMBL6686813 0.77 MIF (0.72) ALDH1A1KDM4ERAB9AMAOBMAPT
SCHEMBL3127507 0.77 NCOA1 (0.59) ALDH1A1KDM4ERAB9AMAOBMAPT
SCHEMBL3131662 0.77 MAPT (0.62) ALDH1A1KDM4ERAB9AMAOBMAPT
SCHEMBL15216064 0.76 ALDH1A1 (0.69) PGRALDH1A1KDM4ERAB9AMAOB
Hydrochloric Acid SCHEMBL3127773 0.76 MAPT (0.61) ALDH1A1KDM4ERAB9AMAOBMAPT
SCHEMBL3136890 0.73 XDH (0.56) ALDH1A1KDM4ERAB9AMAOBMAPT
SCHEMBL3134040 0.73 MAPT (0.64) ALDH1A1KDM4ERAB9AMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021333-B1 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS ETHICAL ONCOLOGY SCIENCE S (IT) 2010-07-14 EP claimed