SCHEMBL6947525

SCHEMBL6947525

COc1cc(N)c(C#N)c(OCC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 7/20 0.47
KDM4E B2RXH2 7/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
THRB P10828 1/20 0.47
G6PD P11413 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HPGD P15428 3/20 0.44
GBA1 P04062 1/20 0.44
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
NPSR1 Q6W5P4 3/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL6946098 0.84 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL15647191 0.81 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5777686 0.81 MAPK8 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6948979 0.77 KDM4E (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7836461 0.75 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22897778 0.75 MAPT (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL29559447 0.75 MAPT (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3030161 0.74 KDM4E (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6767370 0.73 KDM4E (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31294594 0.73 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AABCC8

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