SCHEMBL11194565

SCHEMBL11194565

COc1ccc2c(Cl)c3ccc(Cl)cc3nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
PHLPP2 Q6ZVD8 2/20 0.50
ADORA2A P29274 1/20 0.50
CYP19A1 P11511 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
NQO2 P16083 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MBNL1 Q9NR56 1/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
HPGD P15428 1/20 0.47
ACHE P22303 2/20 0.46
MPO P05164 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
SCHEMBL14126140 0.93 KDM4E (0.62) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL30603139 0.92 KDM4E (0.68) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL31038657 0.92 KDM4E (0.68) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL2448633 0.92 KDM4E (0.68) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL4540441 0.87 APP (0.58) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL20535915 0.87 KDM4E (0.62) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL31500228 0.86 KDM4E (0.61) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL9594726 0.86 KDM4E (0.57) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL9594325 0.85 MPO (0.48) KDM4EKMT2AMEN1TDP1ALDH1A1
SCHEMBL6023624 0.85 KDM4E (0.61) KDM4EKMT2AMEN1ALDH1A1POLB

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
WO-2012164484-A1 ADENOSINE OR DEOXYADENOSINE DERIVATIVES MODIFIED AT POSITION 8 AND A METHOD OF SYNTHESIS THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2012-12-06 WO disclosed
US-4394487-A GRAFTING AFFINE RESIDUE FOR NUCLEIC ACIDS ONTO POLYMERIC CARRIER BOEHRINGER MANNHEIM GMBH (DE) 1983-07-19 US disclosed
US-4335226-A Adsorbent for the affinity-specific separation of macromolecular materials BOEHRINGER MANNHEIM GMBH (DE) 1982-06-15 US disclosed