SCHEMBL4631791

SCHEMBL4631791

Cc1n[nH]c(C)c1C(=O)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 3/20 0.49
GAA P10253 2/20 0.49
RAB9A P51151 4/20 0.48
CDK2 P24941 2/20 0.48
SLC22A12 Q96S37 1/20 0.48
RECQL P46063 1/20 0.48
CCNA2 P20248 1/20 0.48
FLT3 P36888 1/20 0.48
CCNA1 P78396 1/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 3/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC11A2 P49281 1/20 0.47
ALKBH3 Q96Q83 1/20 0.47

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
SCHEMBL28173059 0.82 AURKA (0.56) AURKAKMT2AMEN1TDP1GAA
SCHEMBL28869489 0.81 AURKA (0.47) AURKAKMT2AMEN1TDP1HPGD
SCHEMBL6707197 0.81 AHR (0.54) KMT2AMEN1RAB9ALMNANPC1
Hydrochloric Acid SCHEMBL28469900 0.80 AURKA (0.46) AURKAKMT2AMEN1TDP1HPGD
SCHEMBL6707949 0.79 L3MBTL1 (0.59) KMT2AMEN1GAARAB9ANPC1
SCHEMBL7968338 0.79 SLC11A2 (0.44) AURKAKMT2AMEN1RAB9ANPC1
SCHEMBL10718938 0.78 LMNA (0.62) KMT2AMEN1TDP1HPGDGAA
Sulfuric Acid SCHEMBL28476950 0.77 AURKA (0.43) AURKAKMT2AMEN1TDP1HPGD
SCHEMBL6707922 0.77 KIF11 (0.48) AURKAKMT2AMEN1LMNAL3MBTL1
SCHEMBL3637493 0.76 PDE4D (0.49) AURKAKMT2AMEN1TDP1GAA

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1535939-B1 Blocked polyisocyanate BAYER MATERIALSCIENCE LLC (US) 2008-05-21 EP claimed
US-20070149750-A1 Solid powder coating crosslinker BAYER MATERIALSCIENCE LLC 2007-06-28 US claimed
US-20050245718-A1 Solid powder coating crosslinker BAYER MATERIALSCIENCE LLC 2005-11-03 US claimed
EP-1535939-A1 Blocked polyisocyanate Bayer MaterialScience LLC (US) 2005-06-01 EP claimed
US-20050113548-A1 Solid powder coating crosslinker BAYER MATERIALSCIENCE LLC 2005-05-26 US claimed
US-20050113550-A1 BLOCKED POLYISOCYANATE BAYER MATERIALSCIENCE LLC 2005-05-26 US claimed
US-6894138-B1 Blocked polyisocyanate BAYER MATERIALSCIENCE LLC (US) 2005-05-17 US claimed
EP-0749448-B1 USE OF PYRAZOLE-BLOCKED POLYISOCYANATES IN ONE-COMPONENT CLEAR COATINGS ARCO CHEM TECH (US) 2001-05-30 EP claimed
EP-0749448-A1 ISOCYANATE-CROSSLINKED COATINGS HAVING REDUCED YELLOWING OLIN CORPORATION (US) 1996-12-27 EP claimed
EP-0749448-A4 ISOCYANATE-CROSSLINKED COATINGS HAVING REDUCED YELLOWING OLIN CORP (US) 1996-06-19 EP claimed
WO-1995006674-A1 ISOCYANATE-CROSSLINKED COATINGS HAVING REDUCED YELLOWING OLIN CORPORATION (US) 1995-03-09 WO claimed
WO-2026104690-A1 AQUEOUS DISPERSION OF A CROSSLINKING COMPONENT FOR CATIONIC PAINT BINDERS ALLNEX AUSTRIA GMBH (AT) 2026-05-21 WO disclosed
EP-4151429-B1 RUBBER COMPOUNDING INGREDIENT AND RUBBER COMPOSITION SHINETSU CHEMICAL CO (JP) 2026-03-11 EP disclosed
US-20240410074-A1 ELECTRODEPOSITION COATING COMPOSITION AND ITS PREPARATION BASF COATINGS GMBH (DE) 2024-12-12 US disclosed
EP-4426766-A1 ELECTRODEPOSITION COATING COMPOSITION AND ITS PREPARATION BASF Coatings GmbH (DE) 2024-09-11 EP disclosed
US-5246557-A Wint pyrazoles; paints THE BAXENDEN CHEMICAL CO. (GB) 1993-09-21 US disclosed
EP-0159117-B1 BLOCKED ISOCYANATES THE BAXENDEN CHEMICAL COMPANY LIMITED (GB) 1993-01-27 EP disclosed
US-4976837-A PAINTS THE BAXENDEN CHEMICAL CO. (GB) 1990-12-11 US disclosed
EP-0159117-A1 Blocked isocyanates THE BAXENDEN CHEMICAL COMPANY LIMITED (GB) 1985-10-23 EP disclosed
US-4134987-A PYRAZOLE DERIVATIVES, FUNGICIDES HUPPATZ JOHN L 1979-01-16 US disclosed