SCHEMBL7302098

SCHEMBL7302098

CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.68
CD274 Q9NZQ7 1/20 0.68
NPC1 O15118 1/20 0.64
ALDH1A1 P00352 1/20 0.64
GLA P06280 1/20 0.64
RAB9A P51151 1/20 0.64
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
NR1H4 Q96RI1 12/20 0.64
PPARG P37231 8/20 0.64
TNIK Q9UKE5 1/20 0.64
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
PPARA Q07869 4/20 0.57
MAPT P10636 1/20 0.57
RECQL P46063 1/20 0.57

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
SCHEMBL7292297 0.86 NR1H4 (0.74) NPC1ALDH1A1GLARAB9AATM
SCHEMBL6105957 0.86 NR1H4 (0.78) NPC1ALDH1A1GLARAB9AATM
SCHEMBL4831403 0.85 NR1H4 (0.67) NPC1ALDH1A1GLARAB9AATM
SCHEMBL15176770 0.85 NPC1 (0.68) NPC1ALDH1A1GLARAB9AATM
SCHEMBL15775396 0.85 PTGS1 (0.68) PDCD1CD274NPC1RAB9ANR1H4
SCHEMBL11079536 0.84 PDCD1 (0.72) PDCD1CD274NPC1ALDH1A1GLA
SCHEMBL786246 0.84 PDCD1 (0.81) PDCD1CD274NPC1ALDH1A1RAB9A
SCHEMBL6108092 0.84 TSHR (0.72) NPC1ALDH1A1GLARAB9AATM
SCHEMBL23258276 0.83 PDCD1 (0.74) PDCD1CD274NPC1ALDH1A1GLA
SCHEMBL15775304 0.83 PDCD1 (0.74) PDCD1CD274NPC1ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP claimed
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