SCHEMBL7300564

SCHEMBL7300564

CC(C)(C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.80
KCNK9 Q9NPC2 1/20 0.68
KCNK3 O14649 1/20 0.61
HDAC3 O15379 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 2/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 2/20 0.59
THRB P10828 1/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
CA1 P00915 1/20 0.59

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
SCHEMBL13210705 0.90 NAMPT (0.66) NR1H4KCNK9KCNK3MEN1ALDH1A1
SCHEMBL6542391 0.89 NR1H4 (1.00) NR1H4KCNK9SMN1; SMN2TP53THRB
SCHEMBL6542489 0.87 NR1H4 (0.69) NR1H4KCNK9KCNK3HDAC3HDAC8
SCHEMBL15788186 0.85 MAPK14 (0.66) NR1H4MEN1ALDH1A1RAB9AKMT2A
SCHEMBL2173418 0.84 HTT (0.71) NR1H4KCNK9KCNK3SMN1; SMN2MEN1
SCHEMBL13988752 0.83 NR1H4 (0.59) NR1H4KCNK9MEN1ALDH1A1RAB9A
SCHEMBL94618 0.83 NAMPT (0.59) NR1H4MEN1ALDH1A1RAB9AKMT2A
SCHEMBL6655548 0.83 KMT2A (0.66) NR1H4SMN1; SMN2TP53MEN1ALDH1A1
SCHEMBL9417400 0.83 NR1H4 (0.58) NR1H4MEN1ALDH1A1KMT2AMAPT
SCHEMBL3875552 0.82 MLYCD (0.67) NR1H4HDAC3HDAC8HDAC6SMN1; SMN2

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