SCHEMBL8874243

SCHEMBL8874243

CCOc1cc(OC(F)(F)Cl)nc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 1/20 0.48
NUDT1 P36639 4/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 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
SCHEMBL8873887 0.87 NPC1 (0.50) RAB9AALDH1A1NPC1MAPK1NUDT1
SCHEMBL7935910 0.86 HSP90AA1 (0.35) RAB9AALDH1A1NPC1NUDT1CYP1A2
SCHEMBL8873740 0.83 SMN1; SMN2 (0.38) RAB9AALDH1A1NPC1MAPK1CYP1A2
SCHEMBL1576650 0.82 NPC1 (0.62) RAB9AALDH1A1NPC1MAPK1NUDT1
SCHEMBL7804829 0.81 NPC1 (0.44) RAB9AALDH1A1NPC1NUDT1CYP1A2
SCHEMBL8873249 0.80 TLR8 (0.37) RAB9AALDH1A1NPC1MAPK1NUDT1
SCHEMBL8873474 0.80 CDK1 (0.37) RAB9AALDH1A1NPC1MAPK1NUDT1
SCHEMBL8874141 0.77 NUDT1 (0.51) NUDT1HSP90AA1HSP90AB1
SCHEMBL8874168 0.77 KMT2A (0.41) RAB9AALDH1A1NPC1MAPK1NUDT1
SCHEMBL8876822 0.77 HSP90AA1 (0.53) RAB9AALDH1A1NPC1MAPK1NUDT1

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-0600967-B1 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME BASF AG (DE) 1995-04-19 EP disclosed
EP-0391652-B1 Interphenylène 7-oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasopastic disease SQUIBB & SONS INC (US) 1995-03-15 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