SCHEMBL6954237

SCHEMBL6954237

COc1ccc(C#N)c(O)c1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
AR P10275 9/20 0.44
PGR P06401 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
USP8 P40818 1/20 0.38
USP7 Q93009 1/20 0.38

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
SCHEMBL4696500 0.82 ALDH1A1 (0.55) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL5580411 0.81 MAPT (0.53) ALDH1A1KDM4EMAPTTDP1HDAC4
SCHEMBL10540003 0.78 ALDH1A1 (0.52) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL23880593 0.78 ALDH1A1 (0.52) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL9576912 0.77 CYP3A4 (0.47) ALDH1A1KDM4EUSP2MAPTTDP1
SCHEMBL7366475 0.77 ALDH1A1 (0.50) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL4077294 0.77 ALDH1A1 (0.50) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL7365630 0.77 ALDH1A1 (0.50) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL5750458 0.77 ALDH1A1 (0.50) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL8039491 0.77 ALDH1A1 (0.59) ALDH1A1IMPDH2IMPDH1KDM4EUSP2

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-0887344-B1 Quinolines and quinazolines useful in therapy PFIZER LTD (GB) 2003-12-03 EP disclosed
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