SCHEMBL8873249

SCHEMBL8873249

CCNc1cc(OC(F)(F)Cl)nc(N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.37
AURKA O14965 1/20 0.37
PDPK1 O15530 1/20 0.37
TGFBR1 P36897 1/20 0.37
AURKB Q96GD4 1/20 0.37
NUDT1 P36639 5/20 0.36
PGK1 P00558 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8873492 0.88 PGK1 (0.40) TLR8AURKAPDPK1TGFBR1AURKB
SCHEMBL8874141 0.83 NUDT1 (0.51) AURKAPDPK1TGFBR1AURKBNUDT1
SCHEMBL8873225 0.82 LMNA (0.37) PGK1CYP2C19KDM4ELMNACYP1A2
SCHEMBL8874243 0.80 RAB9A (0.48) NUDT1CYP2C19ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7935910 0.79 HSP90AA1 (0.35) NUDT1CYP2C19ALDH1A1RAB9ASMN1; SMN2
SCHEMBL20161606 0.78 RAB9A (0.44) TLR8AURKAPDPK1TGFBR1AURKB
SCHEMBL7804829 0.74 NPC1 (0.44) AURKAPDPK1TGFBR1AURKBNUDT1
SCHEMBL8874168 0.73 KMT2A (0.41) NUDT1CYP2C19ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7796331 0.73 KMT2A (0.43) NUDT1CYP2C19SMN1; SMN2KDM4ECYP1A2
SCHEMBL7934010 0.73 KMT2A (0.49) CYP2C19CYP2D6ALDH1A1RAB9ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591694-A COMPOUND USED TO CONTROL UNDESIRABLE PLANT GROWTH BASF AKTIENGESELLSCHAFT (DE) 1997-01-07 US disclosed
EP-0446743-B1 Herbicidal sulfonylureas, process for their preparation and intermediates BASF AG (DE) 1995-08-02 EP disclosed
EP-0656004-A1 DUAL FUNCTIONAL ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE AGENTS CYTOMED, INC. (US) 1995-06-07 EP disclosed
EP-0600967-B1 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME BASF AG (DE) 1995-04-19 EP disclosed
EP-0600967-A1 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME. BASF AG (DE) 1994-06-15 EP disclosed
US-5276007-A Herbicidal sulfonylureas BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
WO-1993005048-A2 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 1993-03-18 WO disclosed
EP-0446743-A2 Herbicidal sulfonylureas, process for their preparation and intermediates BASF Aktiengesellschaft (DE) 1991-09-18 EP disclosed