SCHEMBL7653453

SCHEMBL7653453

COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2cc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.49
TLR7 Q9NYK1 3/20 0.49
EHMT2 Q96KQ7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
APP P05067 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDGFRB P09619 1/20 0.45

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
Hydrochloric Acid SCHEMBL7652032 0.99 TLR9 (0.49) TLR9TLR7EHMT2KDM4EMEN1
SCHEMBL6954049 0.87 ADRA1A (0.60) TLR9TLR7EHMT2KDM4EMEN1
SCHEMBL7006705 0.85 KDM4E (0.51) KDM4EHPGD
SCHEMBL7649027 0.83 ADRA1D (0.44) EHMT2
SCHEMBL7011047 0.82 KDM4E (0.47) EHMT2KDM4EMEN1HPGDKMT2A
SCHEMBL7654368 0.82 EHMT2 (0.47) TLR9TLR7EHMT2KDM4EMEN1
Hydrochloric Acid SCHEMBL7652736 0.79 ADRA1A (0.57) KDM4EMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL6765566 0.77 AKR1C3 (0.45) KDM4EHPGD
SCHEMBL7013535 0.76 KDM4E (0.46) KDM4EMEN1HPGDKMT2A
SCHEMBL6771678 0.75 AKR1C3 (0.40) KDM4EHPGD

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
US-6417194-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-07-09 US disclosed
US-6048864-A Quinolines and quinazolines useful in therapy PFIZER INC (US) 2000-04-11 US disclosed
EP-0887344-A1 Quinolines and quinazolines useful in therapy Pfizer Limited (GB) 1998-12-30 EP disclosed