SCHEMBL7301550

SCHEMBL7301550

CC(C)(C)c1ccc(C(=O)Nc2cccc(F)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 3/20 0.73
RAB9A P51151 4/20 0.69
NPC1 O15118 3/20 0.69
HPGD P15428 1/20 0.69
KCNK3 O14649 4/20 0.66
HDAC3 O15379 2/20 0.65
HDAC8 Q9BY41 2/20 0.65
HDAC6 Q9UBN7 2/20 0.65
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 2/20 0.63
NR1H4 Q96RI1 2/20 0.63
TP53 P04637 1/20 0.63
THRB P10828 1/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63

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
SCHEMBL21652165 0.87 HDAC8 (0.76) KCNK9RAB9ANPC1HPGDKCNK3
SCHEMBL28329547 0.86 NPC1 (0.59) KCNK9RAB9ANPC1HPGDMEN1
SCHEMBL7293743 0.83 KCNK3 (0.86) KCNK9RAB9ANPC1KCNK3HDAC3
SCHEMBL7292693 0.83 KCNK9 (0.75) KCNK9RAB9ANPC1KCNK3HDAC3
SCHEMBL7295509 0.83 KCNK9 (0.80) KCNK9RAB9ANPC1HPGDKCNK3
SCHEMBL28185509 0.83 NPC1 (0.76) KCNK9RAB9ANPC1HPGDKCNK3
SCHEMBL23447715 0.82 NPC1 (1.00) KCNK9RAB9ANPC1HPGDKCNK3
SCHEMBL7296707 0.82 KCNK9 (0.73) KCNK9RAB9ANPC1KCNK3HDAC3
SCHEMBL14195814 0.82 KCNK9 (0.83) KCNK9RAB9ANPC1KCNK3HDAC3
SCHEMBL7303920 0.82 KCNK9 (0.73) KCNK9RAB9ANPC1KCNK3HDAC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed