SCHEMBL6946098

SCHEMBL6946098

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
GBA1 P04062 1/20 0.40
HPGD P15428 1/20 0.40
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
MAPT P10636 7/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 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
SCHEMBL6947525 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EGBA1HPGDABCC8
SCHEMBL5771980 0.82 SQOR (0.38) ALDH1A1KDM4EGBA1HPGDMAPT
SCHEMBL25564157 0.78 MAPT (0.40) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL186585 0.78 TRPV4 (0.52) ALDH1A1KDM4EGBA1HPGDABCC8
SCHEMBL25564158 0.76 NOTUM (0.40) ALDH1A1KDM4EL3MBTL1LMNACYP1A2
SCHEMBL25564160 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL3030161 0.75 KDM4E (0.43) ALDH1A1KDM4EGBA1HPGDMAPT
SCHEMBL5774070 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EGBA1HPGDABCC8
SCHEMBL31294594 0.74 MAPT (0.50) ALDH1A1ABCC8KCNJ11MAPTMEN1
SCHEMBL16838754 0.74 CYP1A2 (0.47) ALDH1A1KDM4EHPGDMAPTHSD17B10

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