SCHEMBL13075264

SCHEMBL13075264

CC(F)(F)c1ccc(-n2cc(C(F)(F)F)ccc2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CBL P22681 1/20 0.39
CBLB Q13191 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MPI P34949 1/20 0.33

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
SCHEMBL12333052 0.89 GSK3A (0.42) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL10059423 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL10305669 0.86 ALDH1A1 (0.53) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL10079103 0.84 ALDH1A1 (0.56) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL142716 0.84 NPC1 (0.46) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL10059409 0.82 KDM4E (0.36) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL10079418 0.82 KDM4E (0.37) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL6116854 0.82 KIF11 (0.47) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL142926 0.82 KIF11 (0.47) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL141047 0.82 MIF (0.46) ALDH1A1KDM4ECYP1A2HPGDBLM

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
WO-2010135470-A1 PIFENIDONE DERIVATIVES FOR TREATING BRONCHIAL ASTHMA INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2010132864-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS INTERMUNE, INC. (US) 2010-11-18 WO disclosed
WO-2009149188-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-10 WO disclosed