SCHEMBL7550698

SCHEMBL7550698

CCNc1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4C Q9H3R0 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
THRB P10828 1/20 0.39
PIM1 P11309 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL7550411 0.88 DHODH (0.52) DHODHMEN1KMT2AKDM4CSMN1; SMN2
SCHEMBL7550407 0.87 DHODH (0.38) DHODHKDM4CRAB9ACYP11B1CYP11B2
SCHEMBL7556208 0.84 STAT3 (0.38) DHODHMEN1KMT2AKDM4CSMN1; SMN2
SCHEMBL18053852 0.84 DHODH (0.50) DHODHMEN1KMT2AKDM4CSMN1; SMN2
SCHEMBL7554510 0.83 JAK2 (0.40) DHODHMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7559194 0.82 NPC1 (0.36) DHODHMEN1KMT2ANPC1LMNA
SCHEMBL8494851 0.80 DHODH (0.53) DHODHMEN1KMT2AKDM4CSMN1; SMN2
SCHEMBL8495024 0.79 DHODH (0.52) DHODHMEN1KMT2AKDM4CSMN1; SMN2
SCHEMBL8606601 0.79 DHODH (0.45) DHODHMEN1KMT2AKDM4CSMN1; SMN2
SCHEMBL29547482 0.79 DHODH (0.49) DHODHMEN1KMT2AKDM4CSMN1; 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
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-6114538-A 2-POSITION OF BENZOY RING OF 4-BENZOYLISOXAZOLE DERIVATIVE IS SUBSTITUTED AND PARTICULARLY USED AGAINST MONOCOTYLEDONOUS WEEDS BY POST-EMEREGENECE APPLICATION RHONE POULENC AGRICULTURE LIMITED (GB) 2000-09-05 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
CN-1137271-A 4-benzoylisoxazoles and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-12-04 CN disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed