SCHEMBL7653434

SCHEMBL7653434

COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2c(OC2CCCC2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.39
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CFD P00746 2/20 0.38
CNR2 P34972 1/20 0.38
PDE4D Q08499 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL6950743 0.98 AKR1C3 (0.39) AKR1C3EHMT2EHMT1KDM4EALDH1A1
SCHEMBL6767113 0.85 AKR1C3 (0.41) AKR1C3KDM4EALDH1A1HPGDCASP1
SCHEMBL6946914 0.85 CFD (0.50) KDM4EALDH1A1HPGDHSD17B10CFD
SCHEMBL6951033 0.84 AKR1C3 (0.41) AKR1C3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6951130 0.84 KDM4E (0.39) AKR1C3KDM4EALDH1A1HPGDCASP1
SCHEMBL7654368 0.83 EHMT2 (0.47) EHMT2EHMT1KDM4EALDH1A1HPGD
SCHEMBL6765566 0.82 AKR1C3 (0.45) AKR1C3KDM4EALDH1A1HPGDCASP1
SCHEMBL6765104 0.82 KDM4E (0.40) AKR1C3KDM4EALDH1A1HPGDCASP1
SCHEMBL7653518 0.81 CFD (0.50) KDM4EALDH1A1HPGDHSD17B10CFD
SCHEMBL6772466 0.81 AKR1C3 (0.46) AKR1C3KDM4EALDH1A1HPGDCASP1

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