SCHEMBL6948979

SCHEMBL6948979

COc1cc(N)c(C#N)c(OCC(F)(F)F)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
USP2 O75604 3/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
THRB P10828 1/20 0.44
G6PD P11413 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
SCN9A Q15858 1/20 0.38
HPGD P15428 3/20 0.36
GBA1 P04062 1/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL6767370 0.87 KDM4E (0.41) KDM4EALDH1A1USP2MAPTHSD17B10
SCHEMBL6950804 0.79 MAPK8 (0.40) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL6947525 0.77 ALDH1A1 (0.47) KDM4EALDH1A1USP2MAPTHSD17B10
SCHEMBL6946088 0.75 AR (0.46) KDM4EALDH1A1USP2
Hydrochloric Acid SCHEMBL5205490 0.74 MAPT (0.52) KDM4EALDH1A1USP2MAPTHSD17B10
SCHEMBL5749526 0.71 ADORA2A (0.43) KDM4EALDH1A1USP2MAPTHSD17B10
SCHEMBL14241261 0.71 ALDH1A1 (0.34) KDM4EALDH1A1USP2MAPTHSD17B10
SCHEMBL3030161 0.71 KDM4E (0.43) KDM4EALDH1A1USP2MAPTHSD17B10
SCHEMBL7015225 0.71 BPTF (0.43) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL23966539 0.70 ALDH1A1 (0.55) KDM4EALDH1A1USP2MAPTHSD17B10

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